7-Nitro-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one (Nitrazepam) by Asch

Query Query O

Results

Date

1 substances in Reaxys

2018-05-24 05h:25m:54s (UTC)

H N

O N

1. Query O

Search as: As drawn ) AND (IDE.XRN=757185))

1/198

2018-05-24 05:26:41

Reaxys ID 757185 View in Reaxys

1/1 CAS Registry Number: 146-22-5 Chemical Name: nitrazepam; 1,3-dihydro-7-nitro-5-phenyl-2H-1,4benzodiazepin-2-one; Nitrazepam; 1,3-dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepine-2-one; 7-nitro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one; 5-phenyl-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one; 7-nitro-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)one Linear Structure Formula: (C6H3NO2)NHCOCH2NC(C6H5) Molecular Formula: C15H11N3O3 Molecular Weight: 281.271 Type of Substance: heterocyclic InChI Key: KJONHKAYOJNZEC-UHFFFAOYSA-N Note:

H N

O N

N O

Substance Label (9) Label References G43

Sobaska, Anna W.; Zydek, Grazyna; Wlodno, Piotr; Brzeziska, Elzbieta; European Journal of Medicinal Chemistry; vol. 89; (2014); p. 147 - 155, View in Reaxys

26a

Severino, Beatrice; Fiorino, Ferdinando; Perissutti, Elisa; Frecentese, Francesco; Cirino, Giuseppe; Roviezzo, Fiorentina; Santagada, Vincenzo; Caliendo, Giuseppe; Bioorganic and Medicinal Chemistry; vol. 16; nb. 11; (2008); p. 6009 - 6020, View in Reaxys

Honeychurch, Kevin C.; Smith, Gemma C.; Hart, John P.; Analytical Chemistry; vol. 78; nb. 2; (2006); p. 416 - 423, View in Reaxys

Del Pozo, Carlos; Macias, Alberto; Alonso, Eduardo; Gonzalez, Javier; Synthesis; nb. 16; (2004); p. 2697 - 2703, View in Reaxys

Box, Karl; Bevan, Christopher; Comer, John; Hill, Alan; Allen, Ruth; Reynolds, Derek; Analytical Chemistry; vol. 75; nb. 4; (2003); p. 883 - 892, View in Reaxys

M12 6667

Noguchi, Hideaki; Kitazumi, Kazuhiro; Mori, Megumi; Shiba, Toshiharu; European Journal of Pharmacology; vol. 434; nb. 1-2; (2002); p. 21 - 28, View in Reaxys

Tab. IV

Moore; Pierfitte; Pehourcq; Lagnaoui; Begaud; Clinical Pharmacology and Therapeutics; vol. 69; nb. 6; (2001); p. 445 - 450, View in Reaxys

Janssen; Hulst; Kellogg; Hendriks; Ensing; De Zeeuw; Pharmazie; vol. 55; nb. 1; (2000); p. 42 - 48, View in Reaxys

NZP

Inazu, Norihisa; Hayashi, Masako; Hiura, Masanori; Satoh, Tetsuo; Biochemical Pharmacology; vol. 52; nb. 10; (1996); p. 1585 - 1591, View in Reaxys

Patent-Specific Data (3) Prophetic ComReferences pound Patent; PIGNATARO, Giuseppe; ANNUNZIATO, Lucio; MOLINARO, Pasquale; SCORZIELLO, Antonella; SECONDO, Agnese; PANNACCIONE, Anna; CUOMO, Ornella; CANTILE, Maria; DI RENZO, Gianfranco; CALIENDO, Giuseppe; SANTAGADA, Vincenzo; SEVERINO, Beatrice; FIORINO, Ferdinando; WO2012/72620; (2012); (A1) English, View in Reaxys Patent; UNIVERSITA' DEGLI STUDI DI FIRENZE; A.I.L. FIRENZE SEZIONE AUTONOMA DI FIRENZE DELL'ASSOCIAZIONE ITALIANA CONTRO LE LEUCEMIE, LINFOMI E MIELOMA - ONLUS; WO2009/81349; (2009); (A1) English, View in Reaxys prophetic product

Patent; Schollmayer, Erwin; Sachse, Richard; Braun, Marina; US2008/274061; (2008); (A1) English, View in Reaxys

Druglikeness (1) 1 of 1

LogP

2.046

H Bond Donors

H Bond Acceptors

Rotatable Bonds

TPSA

87.28

Lipinski Number

Veber Number

Highest Clinical Phase (1)

2/198

2018-05-24 05:26:41

Highest Clinical Phase Marketed Related Structure (1) References Bogatskii; Andronoti; J. Gen. Chem. USSR (Engl. Transl.); vol. 39; (1969); p. 443,416, View in Reaxys Derivative (7) Comment (Derivative)

References

<PdMogI2>: dkl.braun, F.>340grad,λ(max), λ(max)

Preti; Tosi; Journal of Coordination Chemistry; vol. 8; (1979); p. 223,224-227, View in Reaxys

<PtMogBr2>: braun, F.212-214grad, λ(max), λ(max)

Preti; Tosi; Journal of Coordination Chemistry; vol. 8; (1979); p. 223,224-227, View in Reaxys

<PdMogBr2>: dkl.braun, F.>340grad,λ(max), λ(max)

Preti; Tosi; Journal of Coordination Chemistry; vol. 8; (1979); p. 223,224-227, View in Reaxys

<PtMog2Cl2>: braun, F.221-223grad, λ(max), λ(max)

Preti; Tosi; Journal of Coordination Chemistry; vol. 8; (1979); p. 223,224-227, View in Reaxys

<PtMogI2>: dkl.braun, F.187-189grad, λ(max), λ(max)

Preti; Tosi; Journal of Coordination Chemistry; vol. 8; (1979); p. 223,224-227, View in Reaxys

<PdMogCl2>: dkl.braun, F.198-200grad, λ(max), λ(max)

Preti; Tosi; Journal of Coordination Chemistry; vol. 8; (1979); p. 223,224-227, View in Reaxys

Hexachlorotellurat: gelb-gruenlich, F=207grad(Zers.)

Grecu; Tuyen; Farmacia (Bucharest, Romania); vol. 26; (1978); p. 73,74, View in Reaxys

Purification (1) References Patent; Bahr; Roehnert; DD74548; (1969); Chem.Abstr.; vol. 74; nb. 100115n; (1971), View in Reaxys; Patent; Takeda yakukhin Kogyo; JP26302; (1969); Ref. Zh., Khim.; vol. 13; nb. N455P; (1970), View in Reaxys Melting Point (28) 1 of 28

Melting Point [°C]

215.7

TitA, Dumitru; Fulias, Adriana; TitA, Bogdan; Vlase, Gabriela; Vlase, Titus; Doca, Nicolae; Revue Roumaine de Chimie; vol. 55; nb. 11-12; (2010); p. 1047 - 1052, View in Reaxys 2 of 28

Melting Point [°C]

217.5

TitA, Dumitru; Fulias, Adriana; TitA, Bogdan; Vlase, Gabriela; Vlase, Titus; Doca, Nicolae; Revue Roumaine de Chimie; vol. 55; nb. 11-12; (2010); p. 1047 - 1052, View in Reaxys 3 of 28

Melting Point [°C]

219.6

TitA, Dumitru; Fulias, Adriana; TitA, Bogdan; Vlase, Gabriela; Vlase, Titus; Doca, Nicolae; Revue Roumaine de Chimie; vol. 55; nb. 11-12; (2010); p. 1047 - 1052, View in Reaxys 4 of 28

Melting Point [°C]

219.9

TitA, Dumitru; Fulias, Adriana; TitA, Bogdan; Vlase, Gabriela; Vlase, Titus; Doca, Nicolae; Revue Roumaine de Chimie; vol. 55; nb. 11-12; (2010); p. 1047 - 1052, View in Reaxys 5 of 28

Melting Point [°C]

220.9

TitA, Dumitru; Fulias, Adriana; TitA, Bogdan; Vlase, Gabriela; Vlase, Titus; Doca, Nicolae; Revue Roumaine de Chimie; vol. 55; nb. 11-12; (2010); p. 1047 - 1052, View in Reaxys

3/198

2018-05-24 05:26:41

6 of 28

Melting Point [°C]

226 - 227

Nedenskov; Mandrup; Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry; vol. 31; (1977); p. 701,704, View in Reaxys; Patent; UNIVERSITA' DEGLI STUDI DI FIRENZE; A.I.L. FIRENZE SEZIONE AUTONOMA DI FIRENZE DELL'ASSOCIAZIONE ITALIANA CONTRO LE LEUCEMIE, LINFOMI E MIELOMA - ONLUS; WO2009/81349; (2009); (A1) English, View in Reaxys 7 of 28

Melting Point [°C]

230

Cwiertnia, Barbara; Acta Poloniae Pharmaceutica - Drug Research; vol. 65; nb. 4; (2008); p. 487 - 491, View in Reaxys 8 of 28

Melting Point [°C]

226 - 227

Location

supporting information

Guandalini; Cellai; Laurenzana; Scapecchi; Paoletti; Romanelli; Bioorganic and Medicinal Chemistry Letters; vol. 18; nb. 18; (2008); p. 5071 - 5074, View in Reaxys 9 of 28

Melting Point [°C]

224 - 226

Comment (Melting Point)

Decomposition

Okada; Kubota; Koizumi; Hizukuri; Ohfuji; Ogata; Chemical and Pharmaceutical Bulletin; vol. 36; nb. 6; (1988); p. 2176 2185, View in Reaxys 10 of 28

Melting Point [°C]

227.8

Keipert; Voigt; Pharmazie; vol. 41; nb. 6; (1986); p. 400 - 404, View in Reaxys 11 of 28

Melting Point [°C]

122 - 124

Natsugari; Meguro; Kuwada; Chemical and Pharmaceutical Bulletin; vol. 27; nb. 9; (1979); p. 2084 - 2092, View in Reaxys 12 of 28

Melting Point [°C]

217 - 219

Patent; Hoffmann-LaRoche; US3996209; (1976); Chem.Abstr.; vol. 86; nb. 140097, View in Reaxys; Patent; Hoffmann-La Roche and Co.; AT341527; (1973); DE2340159; Chem.Abstr.; vol. 80; nb. 133491; (1974), View in Reaxys 13 of 28

Melting Point [°C]

224 - 226

Patent; Hoffmann-La Roche; US3322753; (1965); Chem.Abstr.; vol. 68; nb. 39663x, View in Reaxys; de Silva et al.; Journal of Pharmaceutical Sciences; vol. 63; (1974); p. 520,521, View in Reaxys; de Silva et al.; Analytical Chemistry; vol. 48; (1976); p. 10,11, View in Reaxys; Patent; F. Hoffmann-La Roche and Co. AG; CH567006; (1975); Chem.Abstr.; vol. 79; nb. 42575, View in Reaxys; Patent; Hoffmann-LaRoche; NL6407796; (1963); Chem.Abstr.; vol. 63; nb. 1808fg; (1965), View in Reaxys; Patent; Hoffmann-La Roche; US3335181; (1964); Chem.Abstr.; vol. 68; nb. 69056u; (1968), View in Reaxys; Roth; Adomeit; Archiv der Pharmazie (Weinheim, Germany); vol. 306; (1973); p. 889,897, View in Reaxys 14 of 28

Melting Point [°C]

223 - 224

Solvent (Melting Point)

ethanol

Meguro; Kuwada; Yakugaku Zasshi; vol. 93; (1973); p. 1263,1266; Chem.Abstr.; vol. 80; nb. 27224; (1974), View in Reaxys 15 of 28

Melting Point [°C]

224 - 226

Solvent (Melting Point)

ethanol

Sternbach,L.H. et al.; Journal of Medicinal Chemistry; vol. 6; (1963); p. 261 - 265, View in Reaxys; Meguro; Kuwada; Yakugaku Zasshi; vol. 93; (1973); p. 1263,1266; Chem.Abstr.; vol. 80; nb. 27224; (1974), View in Reaxys 16 of 28

Melting Point [°C]

224 - 225

Patent; Sumitomo Chem. Co.; DE1806106; (1967); Chem.Abstr.; vol. 71; nb. 70659m; (1969), View in Reaxys; Patent; Sumitomo Chem. Comp.; US3723464; (1971); DE1811830; Chem.Abstr.; vol. 75; nb. 129844, View in Reaxys; Patent; HoffmannLa Roche Inc.; US3203990; (1962); Chem.Abstr.; vol. 64; nb. 3576f; (1966), View in Reaxys; Patent; Hoffmann-La Roche; CH408029; (1966); Chem.Abstr.; vol. 66; nb. 55532, View in Reaxys; Patent; Hoffmann-La Roche Inc.; US3109843; (1962); Chem.Abstr.; vol. 60; nb. 2994a; (1964), View in Reaxys; Patent; Reeder; Sternbach; US3141890; (1962); Chem.Abstr.; vol. 61; nb. 9514e; (1964), View in Reaxys; Patent; Hoffmann-La Roche; US3144439; (1962); Chem.Abstr.; vol. 63; nb. 8385c; (1965), View in Reaxys; Patent; Hoffmann-La Roche; DE1145626; (1963); Chem.Abstr.; vol. 60; nb. 12033h; (1964), View in Reaxys; Patent; Hoffmann-La Roche; US3123529; (1962); Chem.Abstr.; vol. 60; nb. 12035; (1964), View in Reaxys; Patent; Hoffmann-La Roche; US3243427; (1961); Chem.Abstr.; vol. 64; nb. 19647c; (1966), View in Reaxys; Patent; Hoffmann-La Roche Inc.; US3116203; (1962); Chem.Abstr.; vol. 60; nb. 5529c; (1964), View in Reaxys; Patent; Takeda Chem. Ind.; DE2137411; (1972); Chem.Abstr.; vol. 77; nb. 19685, View in Reaxys; Patent; Hoffmann-La Roche; CH414652; (1966); US3427304, View in Reaxys 17 of 28

Melting Point [°C]

212 - 217

Ishizumi et al.; Chemical and Pharmaceutical Bulletin; vol. 20; (1972); p. 592,595, View in Reaxys

4/198

2018-05-24 05:26:41

18 of 28

Melting Point [°C]

225

Solvent (Melting Point)

ethanol

Vichljaev et al.; Fiziologicheski Aktivnye Veshchestva (1966-1992); vol. 3; (1971); p. 265,266-279; Chem.Abstr.; vol. 77; nb. 88459e; Chem. Zentralbl.; Ref.Zh.Khim. 1971, 17, 351, View in Reaxys 19 of 28

Melting Point [°C]

226 - 228

Patent; Bahr et al.; DD68909; Chem.Abstr.; vol. 72; nb. 90279; Ref. Zh., Khim.; vol. 13; nb. H456; (1970), View in Reaxys 20 of 28

Melting Point [°C]

220 - 221

Patent; Takeda yakukhin Kogyo; JP26302; (1969); Ref. Zh., Khim.; vol. 13; nb. N455P; (1970), View in Reaxys 21 of 28

Melting Point [°C]

225

Schmitt et al.; Chimica Therapeutica; vol. 4; (1969); p. 239,244, View in Reaxys 22 of 28

Melting Point [°C]

223

Patent; Takeda Chem. Ind., Ltd.; DE1931870; (1968); Chem.Abstr.; vol. 72; nb. 100770f; (1970), View in Reaxys 23 of 28

Melting Point [°C]

226

Patent; Bahr et al.; DD61268; (1968); Chem.Abstr.; vol. 70; nb. 68444y; (1969), View in Reaxys 24 of 28

Melting Point [°C]

223 - 224

Patent; Takeda Chem. Ind., Ltd.; DE1944404; (1968); Chem.Abstr.; vol. 72; nb. 100775m; (1970), View in Reaxys 25 of 28

Melting Point [°C]

218 - 220

Patent; Gedeon Richter Veg. Gyar R:T.; HU155373; (1966); Chem.Abstr.; vol. 70; nb. 87865c; (1969), View in Reaxys 26 of 28

Melting Point [°C]

221 - 228

Patent; Sumitomo Chemical Co., Ltd.; JP6917138; (1966); Chem.Abstr.; vol. 72; nb. 12779k; (1970), View in Reaxys; Patent; Sumitomo Chemical; JP7006029; (1966); Chem.Abstr.; vol. 72; nb. 121597v; (1970), View in Reaxys 27 of 28

Melting Point [°C]

223 - 228

Fryer et al.; Journal of Organic Chemistry; vol. 30; (1965); p. 1308,1310, View in Reaxys 28 of 28

Melting Point [°C]

216 - 230

Pribilla; Arzneimittel Forschung; vol. 15; (1965); p. 1148,1149, View in Reaxys Density (1) 1 of 1

Gilli et al.; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry; vol. 33; (1977); p. 2664, View in Reaxys

Association (MCS) (10) 1 of 10

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

various solvent(s)

Partner (Association (MCS))

human serum albumin

Hollosy, Ferenc; Valko, Klara; Hersey, Anne; Nunhuck, Shenaz; Keri, Gyoergy; Bevan, Chris; Journal of Medicinal Chemistry; vol. 49; nb. 24; (2006); p. 6958 - 6971, View in Reaxys 2 of 10

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

various solvent(s)

Partner (Association (MCS))

immobilized phospholipid membrane

Hollosy, Ferenc; Valko, Klara; Hersey, Anne; Nunhuck, Shenaz; Keri, Gyoergy; Bevan, Chris; Journal of Medicinal Chemistry; vol. 49; nb. 24; (2006); p. 6958 - 6971, View in Reaxys 3 of 10

Description (Association (MCS))

Further physical properties of the complex

5/198

2018-05-24 05:26:41

Partner (Association (MCS))

Ag sol

Cinta; Iliescu; Astilean; David; Cozar; Kiefer; Journal of Molecular Structure; vol. 482-483; (1999); p. 685 - 688, View in Reaxys 4 of 10

Description (Association (MCS))

Association with compound

Partner (Association (MCS))

Ag sol

Cinta; Iliescu; Astilean; David; Cozar; Kiefer; Journal of Molecular Structure; vol. 482-483; (1999); p. 685 - 688, View in Reaxys 5 of 10

Description (Association (MCS))

Association with compound

Solvent (Association (MCS))

toluene; heptane

Temperature (Association (MCS)) [°C]

20 - 25

Comment (Association (MCS))

Ratio of solvents: 75:25 v/v; solvent dependence

Partner (Association (MCS))

phenobarbital molecularly imprinted polymer

Tomioka, Yoshihisa; Kudo, Yoshiki; Hayashi, Tetsuro; Nakamura, Hitoshi; Niizeki, Masahiro; Hishinuma, Takanori; Mizugaki, Michinao; Biological and Pharmaceutical Bulletin; vol. 20; nb. 4; (1997); p. 397 - 400, View in Reaxys 6 of 10

Description (Association (MCS))

IR spectrum of the complex

Solvent (Association (MCS))

KBr

Partner (Association (MCS))

heptakis(2,6-di-O-methyl)cyclomaltoheptaose

Ahmed; Nakai; Aboutaleb; Yamamoto; Rahman; Saleh; Chemical and Pharmaceutical Bulletin; vol. 38; nb. 12; (1990); p. 3423 - 3427, View in Reaxys 7 of 10

Description (Association (MCS))

IR spectrum of the complex

Solvent (Association (MCS))

KBr

Partner (Association (MCS))

2,3,6-trimethyl-beta-cyclodextrin

Ahmed; Nakai; Aboutaleb; Yamamoto; Rahman; Saleh; Chemical and Pharmaceutical Bulletin; vol. 38; nb. 12; (1990); p. 3423 - 3427, View in Reaxys 8 of 10

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

bovine albumin

Brandys; Negrusz; Pharmazie; vol. 42; nb. 5; (1987); p. 350 - 350, View in Reaxys 9 of 10

Description (Association (MCS))

Stability constant of the complex with ...

Solvent (Association (MCS))

H2O

Temperature (Association (MCS)) [°C]

6/198

2018-05-24 05:26:41

Partner (Association (MCS))

human albumin

Brandys; Negrusz; Pharmazie; vol. 42; nb. 5; (1987); p. 350 - 350, View in Reaxys 10 of 10

Description (Association (MCS))

UV/VIS spectrum of the complex

Temperature (Association (MCS)) [°C]

Partner (Association (MCS))

aq. HCl

Inotsume; Nakano; Journal of Pharmaceutical Sciences; vol. 69; nb. 11; (1980); p. 1331 - 1334, View in Reaxys Chromatographic Data (1) Chromatographic References data GC (Gas chromatography)

Khani, H. S. Mohammad; Ghanbary; Rostamzadeh; Chemistry of Natural Compounds; vol. 50; nb. 3; (2014); p. 518 - 519; Khim. Prir. Soedin.; nb. 3; (2014); p. 447,1, View in Reaxys

Conformation (2) Object of Investiga- References tion Conformer equilibrium

Sarrazin et al.; Organic Magnetic Resonance; vol. 7; (1975); p. 89,92, View in Reaxys

Conformation

Nuhn; Bley; Die Pharmazie; vol. 22; nb. 9; (1967); p. 532 - 533, View in Reaxys; Bley; Nuhn; Benndorf; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft; vol. 301; nb. 6; (1968); p. 444 - 451, View in Reaxys

Crystal Phase (2) Description (Crystal Phase)

Comment (Crystal Phase)

References

Crystal structure determination

.; Temperature: 20 Ahmed; Nakai; Aboutaleb; Yamamoto; Rahman; Saleh; Chemical and Pharmaceutical BulleC. Method of deter- tin; vol. 38; nb. 12; (1990); p. 3423 - 3427, View in Reaxys mination: Powder X-ray Diffraction

Crystal structure determination

Gilli et al.; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry; vol. 33; (1977); p. 2664, View in Reaxys

Crystal Property Description (2) Colour & Other Location Properties

References

yellow

Patent; UNIVERSITA' DEGLI STUDI DI FIRENZE; A.I.L. FIRENZE SEZIONE AUTONOMA DI FIRENZE DELL'ASSOCIAZIONE ITALIANA CONTRO LE LEUCEMIE, LINFOMI E MIELOMA - ONLUS; WO2009/81349; (2009); (A1) English, View in Reaxys supporting informa- Guandalini; Cellai; Laurenzana; Scapecchi; Paoletti; Romanelli; Bioorganic and Medicinal tion Chemistry Letters; vol. 18; nb. 18; (2008); p. 5071 - 5074, View in Reaxys

Dissociation Exponent (23) 1 of 23

Dissociation Exponent (pK)

3.104

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

methanol; water

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Bayes, Gunaji S.; Narasimham, Y. S. Lakshmi; Raut, Sambhaji S.; Patil, Vishwanath R.; Lokhande, Rama S.; Journal of Chemical and Engineering Data; vol. 56; nb. 5; (2011); p. 1787 - 1792, View in Reaxys

7/198

2018-05-24 05:26:41

2 of 23

Dissociation Exponent (pK)

3.061

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

methanol; water

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Dissociation Exponent (pK)

2.854 - 2.947

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

methanol; water

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Dissociation Exponent (pK)

2.909

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

methanol; water

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Dissociation Exponent (pK)

2.866

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

methanol; water

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

8/198

2018-05-24 05:26:41

Comment (Dissociation Exponent)

Dissociation Exponent (pK)

3.053

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

ethanol; water

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Dissociation Exponent (pK)

3.002

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

ethanol; water

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Dissociation Exponent (pK)

2.928

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

ethanol; water

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Dissociation Exponent (pK)

2.862

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

ethanol; water

9/198

2018-05-24 05:26:41

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Dissociation Exponent (pK)

2.774

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

ethanol; water

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Dissociation Exponent (pK)

2.922

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

methanol; water

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Dissociation Exponent (pK)

2.876

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

methanol; water

Method (Dissociation Exponent)

potentiometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Dissociation Exponent (pK)

10.51

Dissociation Group

-NH-

10/198

2018-05-24 05:26:41

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O; NaCl

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

a2/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 0.1 M

Popovic; Drazic; Pfendt, Lidija; Pharmazie; vol. 53; nb. 9; (1998); p. 647 - 649, View in Reaxys 14 of 23

Dissociation Exponent (pK)

3.05

Dissociation Group

=NH+-

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O; NaCl

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 0.1 M

Popovic; Drazic; Pfendt, Lidija; Pharmazie; vol. 53; nb. 9; (1998); p. 647 - 649, View in Reaxys 15 of 23

Dissociation Exponent (pK)

10.55 - 11.51

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

b1/apparent

Comment (Dissociation Exponent)

in the presence of salts

De Castro, Baltazar; Gameiro, Paula; Guimaraes, Carla; Lima, Jose L. F. C.; Reis, Salette; Journal of Pharmaceutical Sciences; vol. 87; nb. 3; (1998); p. 356 - 359, View in Reaxys 16 of 23

Dissociation Exponent (pK)

2.98 - 3.82

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

in the presence of salts

11/198

2018-05-24 05:26:41

De Castro, Baltazar; Gameiro, Paula; Guimaraes, Carla; Lima, Jose L. F. C.; Reis, Salette; Journal of Pharmaceutical Sciences; vol. 87; nb. 3; (1998); p. 356 - 359, View in Reaxys 17 of 23

Dissociation Exponent (pK)

10.88

Dissociation Group

N-H

Temperature (Dissociation Exponent) [°C]

Solvent (Dissociation Exponent)

H2O; ethanol

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

a1/apparent

Comment (Dissociation Exponent)

Ratio of solvents: 98:2

Seiler; Zimmermann; Arzneimittel-Forschung/Drug Research; vol. 33; nb. 11; (1983); p. 1519 - 1522, View in Reaxys 18 of 23

Dissociation Exponent (pK)

2.77

Temperature (Dissociation Exponent) [°C]

Method (Dissociation Exponent)

spectrophotometric

Type (Dissociation Exponent)

a1/apparent

Inotsume; Nakano; Journal of Pharmaceutical Sciences; vol. 69; nb. 11; (1980); p. 1331 - 1334, View in Reaxys 19 of 23

Comment (Dissociation Exponent)

(pk')pK(a)

Barrett et al.; Journal of Pharmacy and Pharmacology; vol. 25; (1973); p. 387,389, View in Reaxys 20 of 23

Comment (Dissociation Exponent)

(pk')pK (Tab.1)

Bogat'skii et al.; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 9; (1973); p. 1413; Khimiya Geterotsiklicheskikh Soedinenii; vol. 9; (1973); p. 1558, View in Reaxys 21 of 23

Comment (Dissociation Exponent)

(k')pK

Su; Carstensen; Journal of Pharmaceutical Sciences; vol. 61; (1972); p. 420,421, View in Reaxys 22 of 23

Comment (Dissociation Exponent)

(k')pK(b)

Bogat-skii et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 42; (1972); p. 2571,2562,2563, View in Reaxys 23 of 23

Comment (Dissociation Exponent)

(k')pK(BH+)

Bogat-skii et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 42; (1972); p. 2571,2562,2563, View in Reaxys Electrical Moment (2) 1 of 2

Description (Electrical Moment)

Dipole moment

Comment (Electrical Moment)

(Tab.2)

Bogat'skii et al.; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 9; (1973); p. 1413; Khimiya Geterotsiklicheskikh Soedinenii; vol. 9; (1973); p. 1558, View in Reaxys 2 of 2

Description (Electrical Moment)

Dipole moment

Su; Carstensen; Journal of Pharmaceutical Sciences; vol. 61; (1972); p. 420,421, View in Reaxys

12/198

2018-05-24 05:26:41

Electrochemical Behaviour (3) Description (Elec- References trochemical Behaviour) Electrolytic dissoci- Seiler; Zimmermann; Arzneimittel-Forschung/Drug Research; vol. 33; nb. 11; (1983); p. 1519 - 1522, View in Reaxys; ation / protonation Inotsume; Nakano; Journal of Pharmaceutical Sciences; vol. 69; nb. 11; (1980); p. 1331 - 1334, View in Reaxys; equilibrium Smul'skii, S. P.; Yudanova, I. V.; Kruglyak, Yu. A.; Journal of Structural Chemistry; vol. 24; nb. 4; (1983); p. 648 650; Zhurnal Strukturnoi Khimii; vol. 24; nb. 4; (1983); p. 148 - 150, View in Reaxys; Box, Karl; Bevan, Christopher; Comer, John; Hill, Alan; Allen, Ruth; Reynolds, Derek; Analytical Chemistry; vol. 75; nb. 4; (2003); p. 883 - 892, View in Reaxys Protonation

Box, Karl; Bevan, Christopher; Comer, John; Hill, Alan; Allen, Ruth; Reynolds, Derek; Analytical Chemistry; vol. 75; nb. 4; (2003); p. 883 - 892, View in Reaxys

Polarography

Senkowski et al.; Analytical Chemistry; vol. 36; (1964); p. 1991,1992, View in Reaxys

Electrochemical Characteristics (4) 1 of 4

Description (Electrochemical Characteristics)

Electrochemical characteristics given

Channaa; Surmann, Peter; Pharmazie; vol. 64; nb. 3; (2009); p. 161 - 165, View in Reaxys 2 of 4

Description (Electrochemical Characteristics)

cyclic voltammetry

Solvent (Electrochemical Characteristics)

H2O; ethanol

pH-Value (Electrochemical Characteristics)

4.1

Honeychurch, Kevin C.; Smith, Gemma C.; Hart, John P.; Analytical Chemistry; vol. 78; nb. 2; (2006); p. 416 - 423, View in Reaxys 3 of 4

Description (Electrochemical Characteristics)

cyclic voltammetry

Solvent (Electrochemical Characteristics)

H2O; methanol

pH-Value (Electrochemical Characteristics)

4.1

Honeychurch, Kevin C.; Smith, Gemma C.; Hart, John P.; Analytical Chemistry; vol. 78; nb. 2; (2006); p. 416 - 423, View in Reaxys 4 of 4

Description (Electrochemical Characteristics)

polarographic half-wave potential

Bogatskii et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 41; (1971); p. 1358,1364,1365,1367, View in Reaxys; Oelschlaeger et al.; Arzneimittel Forschung; vol. 16; (1966); p. 82,83,84,86, View in Reaxys Energy Data (MCS) (4) 1 of 4

Description (Energy Data (MCS))

Enthalpy of solution

Partner (Energy Data (MCS))

water

Regosz; Krzykowska; Weclawska; Chmielewska; Pharmazie; vol. 45; nb. 11; (1990); p. 867 - 868, View in Reaxys 2 of 4

Description (Energy Data (MCS))

Enthalpy of mixing

Partner (Energy Data (MCS))

water

Regosz; Krzykowska; Weclawska; Chmielewska; Pharmazie; vol. 45; nb. 11; (1990); p. 867 - 868, View in Reaxys 3 of 4

Description (Energy Data (MCS))

Entropy of mixtures

Partner (Energy Data (MCS))

water

Regosz; Krzykowska; Weclawska; Chmielewska; Pharmazie; vol. 45; nb. 11; (1990); p. 867 - 868, View in Reaxys

13/198

2018-05-24 05:26:41

4 of 4

Description (Energy Data (MCS))

Excess thermochemical parameter

Temperature (Energy Data (MCS)) [°C]

Partner (Energy Data (MCS))

water

Regosz; Krzykowska; Weclawska; Chmielewska; Pharmazie; vol. 45; nb. 11; (1990); p. 867 - 868, View in Reaxys Enthalpy of Fusion (1) Enthalpy of Fusion References [Jmol-1] 37572.3

Regosz; Krzykowska; Weclawska; Chmielewska; Pharmazie; vol. 45; nb. 11; (1990); p. 867 - 868, View in Reaxys

Further Information (7) Description (FurReferences ther Information) Further information Aboul-Enein et al.; Analytical Profiles of Drug Substances; vol. 9; (1980); p. 487, View in Reaxys Further information Preti; Tosi; Journal of Coordination Chemistry; vol. 8; (1979); p. 223,224-227, View in Reaxys Further information Grecu; Tuyen; Farmacia (Bucharest, Romania); vol. 26; (1978); p. 73,74, View in Reaxys Further information Marcu; Grecu; Pharmazie; vol. 31; (1976); p. 167,168, View in Reaxys Further information Bogatskii et al.; J. Gen. Chem. USSR (Engl. Transl.); vol. 41; (1971); p. 1358,1364,1365,1367, View in Reaxys Further information Patent; Hoffmann-La Roche and Co.; CH546245; (1969); DE2044472; Chem.Abstr.; vol. 75; nb. 35794, View in Reaxys Further information Bogatskii; Andronoti; J. Gen. Chem. USSR (Engl. Transl.); vol. 39; (1969); p. 443,416, View in Reaxys Interatomic Distances and Angles (1) Description References Interatomic distances and angles

Galdecki, Z.; Glowka, M. L.; Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry; vol. 36; (1980); p. 3044 - 3048, View in Reaxys

Liquid/Liquid Systems (MCS) (8) 1 of 8

Description (Liquid/Liquid Solution equilibrium Systems (MCS)) Solvent (Liquid/Liquid Systems (MCS))

H2O

Temperature (Liquid/ Liquid Systems (MCS)) [°C]

Partner (Liquid/Liquid Systems (MCS))

0.1 M NaCl

Popovic; Drazic; Pfendt, Lidija; Pharmazie; vol. 53; nb. 9; (1998); p. 647 - 649, View in Reaxys 2 of 8

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Partner (Liquid/Liquid Systems (MCS))

polyvinyl chloride plastic infusion bag and solvents

Jenke; Journal of Pharmaceutical Sciences; vol. 82; nb. 11; (1993); p. 1134 - 1139, View in Reaxys 3 of 8

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Partner (Liquid/Liquid Systems (MCS))

octanol/phosphate buffer (pH = 7.5)

Lacko; Wittke; Arzneimittel-Forschung/Drug Research; vol. 34; nb. 4; (1984); p. 403 - 407, View in Reaxys 4 of 8

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Partner (Liquid/Liquid Systems (MCS))

1) aqueous buffer solution 2) ether

14/198

2018-05-24 05:26:41

Muller; Pharmazie; vol. 38; nb. 9; (1983); p. 596 - 597, View in Reaxys 5 of 8

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Partner (Liquid/Liquid Systems (MCS))

1) aqueous buffer solution 2) CHCl3

Muller; Pharmazie; vol. 38; nb. 9; (1983); p. 596 - 597, View in Reaxys 6 of 8

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Partner (Liquid/Liquid Systems (MCS))

1) aqueous buffer solution 2) methylene dichloride

Muller; Pharmazie; vol. 38; nb. 9; (1983); p. 596 - 597, View in Reaxys 7 of 8

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Temperature (Liquid/ Liquid Systems (MCS)) [°C]

Partner (Liquid/Liquid Systems (MCS))

n-octanol, aq. phosphate buffer

Seiler; Zimmermann; Arzneimittel-Forschung/Drug Research; vol. 33; nb. 11; (1983); p. 1519 - 1522, View in Reaxys 8 of 8

Description (Liquid/Liquid Distribution between solvent 1 + 2 Systems (MCS)) Nakano et al.; Chemical and Pharmaceutical Bulletin; vol. 27; (1979); p. 573,575, View in Reaxys

Other Thermochemical Data (2) Description (Other References Thermochemical Data) Entropy

Bley; Nuhn; Benndorf; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft; vol. 301; nb. 6; (1968); p. 444 - 451, View in Reaxys; Regosz; Krzykowska; Weclawska; Chmielewska; Pharmazie; vol. 45; nb. 11; (1990); p. 867 - 868, View in Reaxys

Enthalpy

Bley; Nuhn; Benndorf; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft; vol. 301; nb. 6; (1968); p. 444 - 451, View in Reaxys

Partition octan-1-ol/water (MCS) (9) 1 of 9

log POW

2.55

Location

supporting information

Rankovic, Zoran; Journal of Medicinal Chemistry; vol. 60; nb. 14; (2017); p. 5943 - 5954, View in Reaxys 2 of 9

log POW

2.55

7.4

Location

supporting information

Comment (Partition octan-1-ol/water (MCS))

aq.buffer

Rankovic, Zoran; Journal of Medicinal Chemistry; vol. 60; nb. 14; (2017); p. 5943 - 5954, View in Reaxys 3 of 9

log POW

1.6

Lee, Gordon S.; Kappler, Katharina; Porter, Christopher J. H.; Scanlon, Martin J.; Nicolazzo, Joseph A.; Pharmaceutical Research; vol. 32; nb. 10; (2015); p. 3432 - 3446, View in Reaxys 4 of 9

log POW

2.63

Location

supporting information

Sobaska, Anna W.; Zydek, Grazyna; Wlodno, Piotr; Brzeziska, Elzbieta; European Journal of Medicinal Chemistry; vol. 89; (2014); p. 147 - 155, View in Reaxys 5 of 9

log POW

2.32

15/198

2018-05-24 05:26:41

Hollosy, Ferenc; Valko, Klara; Hersey, Anne; Nunhuck, Shenaz; Keri, Gyoergy; Bevan, Chris; Journal of Medicinal Chemistry; vol. 49; nb. 24; (2006); p. 6958 - 6971, View in Reaxys 6 of 9

log POW

2.07

Temperature (Partition octan-1-ol/water (MCS)) [°C]

Abraham, Michael H.; Takacs-Novak, Krisztina; Mitchell, Robert C.; Journal of Pharmaceutical Sciences; vol. 86; nb. 3; (1997); p. 310 - 315, View in Reaxys 7 of 9

log POW

2.21

Temperature (Partition octan-1-ol/water (MCS)) [°C]

Ishizaki, Junko; Yokogawa, Koichi; Nakashima, Emi; Ichimura, Fujio; Journal of Pharmacy and Pharmacology; vol. 49; nb. 8; (1997); p. 762 - 767, View in Reaxys 8 of 9

Partition Constant POW

162

Temperature (Partition octan-1-ol/water (MCS)) [°C]

Ishizaki, Junko; Yokogawa, Koichi; Nakashima, Emi; Ichimura, Fujio; Journal of Pharmacy and Pharmacology; vol. 49; nb. 8; (1997); p. 768 - 772, View in Reaxys 9 of 9

Partition Constant POW

2.21

Temperature (Partition octan-1-ol/water (MCS)) [°C]

Ishizaki, Junko; Yokogawa, Koichi; Nakashima, Emi; Ichimura, Fujio; Journal of Pharmacy and Pharmacology; vol. 49; nb. 8; (1997); p. 768 - 772, View in Reaxys Solubility (MCS) (5) 1 of 5

Solubility [g·l-1]

0.0394

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O; NaCl

Ratio of Solvents

0.1 M

Popovic; Drazic; Pfendt, Lidija; Pharmazie; vol. 53; nb. 9; (1998); p. 647 - 649, View in Reaxys 2 of 5

Saturation

in solution

Regosz; Krzykowska; Weclawska; Chmielewska; Pharmazie; vol. 45; nb. 11; (1990); p. 867 - 868, View in Reaxys 3 of 5

Solubility [g·l-1]

0.0461

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

Keipert; Voigt; Pharmazie; vol. 41; nb. 6; (1986); p. 400 - 404, View in Reaxys 4 of 5

Solubility [g·l-1]

0.0698

Saturation

in solution

Temperature (Solubility (MCS)) [°C]

Solvent (Solubility (MCS))

H2O

16/198

2018-05-24 05:26:41

Keipert; Voigt; Pharmazie; vol. 41; nb. 6; (1986); p. 400 - 404, View in Reaxys 5 of 5

Nakano et al.; Chemical and Pharmaceutical Bulletin; vol. 27; (1979); p. 573,575, View in Reaxys

Solution Behaviour (MCS) (4) 1 of 4

Description (Solution Behaviour (MCS))

Solubilizing

Solvent (Solution Behaviour (MCS))

H2O

Temperature (Solution Be- 37 haviour (MCS)) [°C] Comment (Solution Behaviour (MCS))

concentration dependence. Object(s) of Study: diagram

Partner (Solution Behaviour (MCS))

Lactose; oxazepam

Liu, Julie; Journal of Pharmaceutical Sciences; vol. 87; nb. 12; (1998); p. 1632 - 1638, View in Reaxys 2 of 4

Description (Solution Behaviour (MCS))

Solubilizing

Solvent (Solution Behaviour (MCS))

H2O

Temperature (Solution Be- 37 haviour (MCS)) [°C] Partner (Solution Behaviour (MCS))

PVP K 30

Keipert; Voigt; Pharmazie; vol. 41; nb. 6; (1986); p. 400 - 404, View in Reaxys 3 of 4

Description (Solution Behaviour (MCS))

Solubilizing

Solvent (Solution Behaviour (MCS))

H2O

Temperature (Solution Be- 25 haviour (MCS)) [°C] Partner (Solution Behaviour (MCS))

PVP K 30

Keipert; Voigt; Pharmazie; vol. 41; nb. 6; (1986); p. 400 - 404, View in Reaxys 4 of 4

Description (Solution Behaviour (MCS))

Solubilizing

Solvent (Solution Behaviour (MCS))

H2O

Temperature (Solution Be- 25 haviour (MCS)) [°C] Partner (Solution Behaviour (MCS))

various methylcelluloses-ethanol-evaporates

Keipert; Alde; Pharmazie; vol. 41; nb. 12; (1986); p. 845 - 849, View in Reaxys Transport Phenomena (MCS) (1) 1 of 1

Description (Transport Phenomena (MCS))

Diffusion

Solvent (Transport Phenomena (MCS))

various solvent(s)

Partner (Transport Phenomena (MCS))

laurylalcohol membranes

Neubert; Furst; Zeidler; et al.; Pharmazie; vol. 36; nb. 5; (1981); p. 365 - 368, View in Reaxys NMR Spectroscopy (18)

17/198

2018-05-24 05:26:41

1 of 18

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

d(4)-methanol

Original Text (NMR Spec- [1H]-NMR (CD3OD): 4.31 (s, 2H, CH2); 7.43 (d, J = 9.2 Hz, 1 H, H-9); 7.44-7.58 (m, 5H, Ph); 8.10 troscopy) (d, J = 2.8 Hz, 1 H, H-6), 8.41 (dd, J = 9.2, 2.8 Hz, 1 H, H-8) ppm Comment (NMR Spectroscopy)

Signals given

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

d(4)-methanol

Location

supporting information

Guandalini; Cellai; Laurenzana; Scapecchi; Paoletti; Romanelli; Bioorganic and Medicinal Chemistry Letters; vol. 18; nb. 18; (2008); p. 5071 - 5074, View in Reaxys 3 of 18

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

15N

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Temperature (NMR Spectroscopy) [°C]

26.9

Lycka; Cizmarik; Pharmazie; vol. 43; nb. 2; (1988); p. 133 - 133, View in Reaxys 4 of 18

Description (NMR Spectroscopy)

Spin-spin coupling constants

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Temperature (NMR Spectroscopy) [°C]

26.9

Comment (NMR Spectroscopy)

1H-15N.

Lycka; Cizmarik; Pharmazie; vol. 43; nb. 2; (1988); p. 133 - 133, View in Reaxys 5 of 18

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CDCl3

Paul, H.-H.; Sapper, H.; Lohmann, W.; Kalinowski, H. O.; Organic Magnetic Resonance; vol. 21; nb. 5; (1983); p. 319 - 321, View in Reaxys 6 of 18

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

acetone-d6

18/198

2018-05-24 05:26:41

Patra, Amarendra; Mukhopadhyay, Apurba K.; Mitra, Alok K.; Acharyya, Aditi K.; Organic Magnetic Resonance; vol. 15; nb. 1; (1981); p. 99 - 101, View in Reaxys 7 of 18

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

CDCl3; dimethylsulfoxide-d6

Temperature (NMR Spectroscopy) [°C]

Kovar; Linden; Breitmaier; Archiv der Pharmazie; vol. 314; nb. 2; (1981); p. 186 - 190, View in Reaxys 8 of 18

Description (NMR Spectroscopy)

Spin-spin coupling constants

Solvents (NMR Spectroscopy)

CDCl3; dimethylsulfoxide-d6

Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

1H-13C.

Kovar; Linden; Breitmaier; Archiv der Pharmazie; vol. 314; nb. 2; (1981); p. 186 - 190, View in Reaxys 9 of 18

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Haran; Tuchagues; Journal of Heterocyclic Chemistry; vol. 17; nb. 7; (1980); p. 1483 - 1488, View in Reaxys 10 of 18

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Haran; Tuchagues; Journal of Heterocyclic Chemistry; vol. 17; nb. 7; (1980); p. 1483 - 1488, View in Reaxys 11 of 18

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

Solvents (NMR Spectroscopy)

CDCl3

Temperature (NMR Spectroscopy) [°C]

-60.2

Haran; Tuchagues; Journal of Heterocyclic Chemistry; vol. 17; nb. 7; (1980); p. 1483 - 1488, View in Reaxys 12 of 18

Description (NMR Spectroscopy)

Chemical shifts

Nucleus (NMR Spectroscopy)

13C

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Temperature (NMR Spectroscopy) [°C]

19/198

2018-05-24 05:26:41

Sarrazin, Marcel; Faure, Robert; Aubert, Claude; Vincent, Emile-Jean; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 77; nb. 1; (1980); p. 91 - 94, View in Reaxys 13 of 18

Description (NMR Spectroscopy)

Spin-spin coupling constants

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Comment (NMR Spectroscopy)

1H-1H

Haran; Tuchagues; Journal of Heterocyclic Chemistry; vol. 17; nb. 7; (1980); p. 1483 - 1488, View in Reaxys 14 of 18

Description (NMR Spectroscopy)

Spin-spin coupling constants

Solvents (NMR Spectroscopy)

CDCl3

Temperature (NMR Spectroscopy) [°C]

-60.2

Comment (NMR Spectroscopy)

1H-1H.

Haran; Tuchagues; Journal of Heterocyclic Chemistry; vol. 17; nb. 7; (1980); p. 1483 - 1488, View in Reaxys 15 of 18

Description (NMR Spectroscopy)

Spin-spin coupling constants

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Comment (NMR Spectroscopy)

1H-13C.

Haran; Tuchagues; Journal of Heterocyclic Chemistry; vol. 17; nb. 7; (1980); p. 1483 - 1488, View in Reaxys 16 of 18

Description (NMR Spectroscopy)

Spin-spin coupling constants

Solvents (NMR Spectroscopy)

dimethylsulfoxide-d6

Temperature (NMR Spectroscopy) [°C]

Comment (NMR Spectroscopy)

1H-13C.

Sarrazin, Marcel; Faure, Robert; Aubert, Claude; Vincent, Emile-Jean; Journal de Chimie Physique et de Physico-Chimie Biologique; vol. 77; nb. 1; (1980); p. 91 - 94, View in Reaxys 17 of 18

Description (NMR Spectroscopy)

NMR

Bogat-skii et al.; Chemistry of Heterocyclic Compounds (New York, NY, United States); vol. 10; (1974); p. 728,729,730; Khimiya Geterotsiklicheskikh Soedinenii; vol. 10; (1974); p. 838, View in Reaxys; Ficarra et al.; Bollettino Chimico Farmaceutico; vol. 115; (1976); p. 758,760,762,764,769, View in Reaxys; Nuhn; Bley; Die Pharmazie; vol. 22; nb. 9; (1967); p. 532 - 533, View in Reaxys; Sarrazin et al.; Organic Magnetic Resonance; vol. 7; (1975); p. 89,92, View in Reaxys; Sadée; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft; vol. 302; nb. 10; (1969); p. 769 - 774, View in Reaxys; Bley; Nuhn; Benndorf; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft; vol. 301; nb. 6; (1968); p. 444 - 451, View in Reaxys 18 of 18

Description (NMR Spectroscopy)

Spectrum

Comment (NMR Spectroscopy)

S.446

Bley; Nuhn; Benndorf; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft; vol. 301; nb. 6; (1968); p. 444 - 451, View in Reaxys IR Spectroscopy (6) 1 of 6

Description (IR Spectroscopy)

ATR-FTIR (attenuated total reflectance Fourier transform infrared spectroscopy); Bands; Spectrum

20/198

2018-05-24 05:26:41

TitA, Dumitru; Fulias, Adriana; TitA, Bogdan; Vlase, Gabriela; Vlase, Titus; Doca, Nicolae; Revue Roumaine de Chimie; vol. 55; nb. 11-12; (2010); p. 1047 - 1052, View in Reaxys 2 of 6

Description (IR Spectroscopy)

Bands

Solvent (IR Spectroscopy)

KBr

Comment (IR Spectroscopy)

3214 - 1611 cm**(-1)

Forizs; David; Cozar; Craciun; Venter; Kilyen; Journal of Molecular Structure; vol. 408-409; (1997); p. 195 - 199, View in Reaxys 3 of 6

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

CHCl3

Comment (IR Spectroscopy)

1800 - 1600 cm**(-1)

Ahmed; Nakai; Aboutaleb; Yamamoto; Rahman; Saleh; Chemical and Pharmaceutical Bulletin; vol. 38; nb. 12; (1990); p. 3423 - 3427, View in Reaxys 4 of 6

Description (IR Spectroscopy)

Spectrum

Solvent (IR Spectroscopy)

KBr

Comment (IR Spectroscopy)

1800 - 1600 cm**(-1)

Ahmed; Nakai; Aboutaleb; Yamamoto; Rahman; Saleh; Chemical and Pharmaceutical Bulletin; vol. 38; nb. 12; (1990); p. 3423 - 3427, View in Reaxys 5 of 6

Description (IR Spectroscopy)

Spectrum

Fryer et al.; Journal of Organic Chemistry; vol. 30; (1965); p. 1308,1310, View in Reaxys; Noggle Jr.; Clark; Journal - Association of Official Analytical Chemists; vol. 62; nb. 4; (1979); p. 799 - 807, View in Reaxys 6 of 6

Description (IR Spectroscopy)

Patent; Sumitomo Chem. Co.; DE1806106; (1967); Chem.Abstr.; vol. 71; nb. 70659m; (1969), View in Reaxys; Ficarra et al.; Bollettino Chimico Farmaceutico; vol. 115; (1976); p. 758,760,762,764,769, View in Reaxys; Ebel; Schuetz; Arzneimittel-Forschung; vol. 27; nb. 2; (1977); p. 325 - 337, View in Reaxys; Pribilla; Arzneimittel Forschung; vol. 15; (1965); p. 1148,1149, View in Reaxys; Preti; Tosi; Transition Met. Chem. 3; (1978); p. 246, View in Reaxys Mass Spectrometry (7) Description (Mass Comment (Mass Spectrometry) Spectrometry)

References

liquid chromatography mass spectrometry (LCMS); electrospray ionisation (ESI); spectrum

Zhou, Feng; Liu, Shu; Xing, Junpeng; Song, Fengrui; Liu, Zhiqiang; Liu, Shuying; RSC Advances; vol. 6; nb. 101; (2016); p. 98927 - 98934, View in Reaxys

electrospray ionisation (ESI); liquid chromatography mass spectrometry (LCMS); IT (ion trap); tandem mass spectrometry; spectrum

Treu, Axel; Rittner, Miriam; Kemken, Dorit; Schiebel, Hans-Martin; Spiteller, Peter; Dülcks, Thomas; Journal of Mass Spectrometry; vol. 50; nb. 8; (2015); p. 978 - 986, View in Reaxys

spectrum; laser desorption

Salo, Piia K.; Vilmunen, Suvi; Salomies, Hannele; Ketola, Raimo A.; Kostiainen, Risto; Analytical Chemistry; vol. 79; nb. 5; (2007); p. 2101 - 2108, View in Reaxys

spectrum; chemical ionization (CI)

Kratzsch, Carsten; Tenberken, Oliver; Peters, Frank T.; Weber, Armin A.; Kraemer, Thomas; Maurer, Hans H.; Journal of Mass Spectrometry; vol. 39; nb. 8; (2004); p. 856 - 872, View in Reaxys

21/198

2018-05-24 05:26:41

spectrum

collisional activation

chemical ionization (CI); spectrum

Kempen, Esther C.; Brodbelt, Jennifer; Journal of Mass Spectrometry; vol. 32; nb. 8; (1997); p. 846 - 854, View in Reaxys McCarley, Tracy Donovan; Brodbelt, Jennifer; Analytical Chemistry; vol. 65; nb. 17; (1993); p. 2380 - 2388, View in Reaxys Ebel; Schuetz; Arzneimittel-Forschung; vol. 27; nb. 2; (1977); p. 325 - 337, View in Reaxys

UV/VIS Spectroscopy (9) 1 of 9

Description (UV/VIS Spectroscopy)

Spectrum

Comment (UV/VIS Spectroscopy)

240 - 440 nm

Davidson; Li; Journal of Pharmacy and Pharmacology; vol. 41; nb. 1; (1989); p. 63 - 65, View in Reaxys 2 of 9

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

aq. HCl

Comment (UV/VIS Spectroscopy)

230 - 440 nm

Davidson; Li; Journal of Pharmacy and Pharmacology; vol. 41; nb. 1; (1989); p. 63 - 65, View in Reaxys 3 of 9

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

aq. NaOH

Comment (UV/VIS Spectroscopy)

240 - 440 nm

Davidson; Li; Journal of Pharmacy and Pharmacology; vol. 41; nb. 1; (1989); p. 63 - 65, View in Reaxys 4 of 9

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

H2O; methanol

Comment (UV/VIS Spectroscopy)

220 - 420 nm

Hassan; Sharaf El-Din; Belal; Sultan; Journal of Pharmacy and Pharmacology; vol. 40; nb. 11; (1988); p. 798 - 800, View in Reaxys 5 of 9

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

H2O; methanol

Absorption Maxima (UV/ VIS) [nm]

258; 310

Hassan; Sharaf El-Din; Belal; Sultan; Journal of Pharmacy and Pharmacology; vol. 40; nb. 11; (1988); p. 798 - 800, View in Reaxys 6 of 9

Description (UV/VIS Spectroscopy)

Spectrum

Solvent (UV/VIS Spectroscopy)

aq. HCl

Comment (UV/VIS Spectroscopy)

220 - 350 nm

El-Yazbi; Abdel-Hay; Korany; Pharmazie; vol. 41; nb. 9; (1986); p. 639 - 642, View in Reaxys 7 of 9

Description (UV/VIS Spectroscopy)

Absorption maxima

Solvent (UV/VIS Spectroscopy)

dioxane; aq. HCl

22/198

2018-05-24 05:26:41

Absorption Maxima (UV/ VIS) [nm]

280

Broxton; Morrison; Australian Journal of Chemistry; vol. 38; nb. 7; (1985); p. 1037 - 1043, View in Reaxys 8 of 9

Description (UV/VIS Spectroscopy)

UV/VIS

Patent; Sumitomo Chem. Co.; DE1806106; (1967); Chem.Abstr.; vol. 71; nb. 70659m; (1969), View in Reaxys; Ficarra et al.; Bollettino Chimico Farmaceutico; vol. 115; (1976); p. 758,760,762,764,769, View in Reaxys; Predescu et al.; Farmacia (Bucharest, Romania); vol. 26; (1978); p. 39,41, View in Reaxys; Barrett et al.; Journal of Pharmacy and Pharmacology; vol. 25; (1973); p. 387,389, View in Reaxys; Noggle Jr.; Clark; Journal - Association of Official Analytical Chemists; vol. 62; nb. 4; (1979); p. 799 - 807, View in Reaxys; Lafargue; Pont; Meunier; Annales pharmaceutiques francaises; vol. 28; nb. 5; (1970); p. 343 - 354, View in Reaxys; Ebel; Schuetz; Arzneimittel-Forschung; vol. 27; nb. 2; (1977); p. 325 - 337, View in Reaxys; Pribilla; Arzneimittel Forschung; vol. 15; (1965); p. 1148,1149, View in Reaxys; Oelschlaeger et al.; Arzneimittel Forschung; vol. 16; (1966); p. 82,83,84,86, View in Reaxys; Roth; Adomeit; Archiv der Pharmazie (Weinheim, Germany); vol. 306; (1973); p. 889,897, View in Reaxys; Roth; Adomeit; Tetrahedron letters; vol. 37; (1969); p. 3201 - 3204, View in Reaxys; Levillain et al.; European Journal of Medicinal Chemistry; vol. 10; (1975); p. 433,436, View in Reaxys 9 of 9

Description (UV/VIS Spectroscopy)

Spectrum

Gallo et al.; Experientia; vol. 30; (1974); p. 439, View in Reaxys Raman Spectroscopy (1) Description (Ram- Solvent (Raman an Spectroscopy) Spectroscopy)

References

Spectrum

solid

Day, Joanna S.; Edwards, Howell G.M.; Dobrowski, Steven A.; Voice, Alison M.; Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy; vol. 60; nb. 3; (2004); p. 563 568, View in Reaxys

Use (94) Use Pattern

Location

References

CDKL5 disorder in Page/Page column combination with title page; 53; 54; allosteric modulator 55

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

Doose syndrome in Page/Page column combination with title page; 53; 54; allosteric modulator 55

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

Dravet syndrome in Page/Page column combination with title page; 53; 54; allosteric modulator 55

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

Landau-Kleffner Syndrome in combination with allosteric modulator

Page/Page column title page; 53; 54; 55

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

Lennox-Gastaut Page/Page column syndrome (LGS) in title page; 53; 54; combination with 55 allosteric modulator

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

Lennox-Gastaut Page/Page column syndrome in combititle page; 53; 54; nation with alloster- 55 ic modulator

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

Ohtahara syndrome Page/Page column in combination with title page; 53; 54; allosteric modulator 55

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

PCDHI9 pediatric Page/Page column epilepsy in combititle page; 53; 54; nation with alloster- 55 ic modulator

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

Pharmaceuticals

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

Page/Page column title page; 53; 54; 55

23/198

2018-05-24 05:26:41

Rasmussen’s syndrome in combination with allosteric modulator

Page/Page column title page; 53; 54; 55

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

Rett syndrome in Page/Page column combination with title page; 53; 54; allosteric modulator 55

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

West’s syndrome in Page/Page column combination with title page; 53; 54; allosteric modulator 55

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

acute repetitive Page/Page column seizure in combinatitle page; 53; 54; tion with allosteric 55 modulator

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

acute repetitive Page/Page column seizures in combititle page; 53; 54; nation with alloster- 55 ic modulator

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

benign rolandic epi- Page/Page column lepsy in combinatitle page; 53; 54; tion with allosteric 55 modulator

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

childhood absence Page/Page column epilepsy in combititle page; 53; 54; nation with alloster- 55 ic modulator

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

epilepsy in combi- Page/Page column nation with alloster- title page; 53; 54; ic modulator 55

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

epilepsy with gen- Page/Page column eralized toniccionic title page; 53; 54; seizures in combi55 nation with allosteric modulator

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

epilepsy with myo- Page/Page column clonic absences in title page; 53; 54; combination with 55 allosteric modulator

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

epilepticus in combination with allosteric modulator

Page/Page column title page; 53; 54; 55

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

essential tremor in Page/Page column combination with title page; 53; 54; allosteric modulator 55

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

frontal lobe epilep- Page/Page column sy in combination title page; 53; 54; with allosteric mod- 55 ulator

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

increased seizure Page/Page column activity or breaktitle page; 53; 54; through seizures in 55 combination with allosteric modulator

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

refractory status ep- Page/Page column ilepticus in combititle page; 53; 54; nation with alloster- 55 ic modulator

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

status epilepticus in Page/Page column combination with title page; 53; 54; allosteric modulator 55

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

24/198

2018-05-24 05:26:41

superrefractory status epilepticus(SRSE) in combination with allosteric modulator

Page/Page column title page; 53; 54; 55

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

temporal lobe epilepsy in combination with allosteric modulator

Page/Page column title page; 53; 54; 55

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

treating an epileptic Page/Page column disorder in combititle page; 53; 54; nation with alloster- 55 ic modulator

Patent; OVID THERAPEUTICS INC.; DURING, Matthew; (66 pag.); WO2018/31748; (2018); (A1) English, View in Reaxys

GABAA receptor positive allosteric modulator (PAM) in all uses

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

Pharmaceuticals

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

absence seizures

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

agoraphobia

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

anesthesia

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

anxiety caused by depression

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

anxiety disorder

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

catamenial epilepsy.

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

increases beta cell replication in islets after islet transplantation

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

increases insulin content

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

increasing mass of beta cells

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

lennox-gastaut syn- Page/Page column drome title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

25/198

2018-05-24 05:26:41

neuropathic pain

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

panic disorder

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

producing drowsiness

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

promoting function of beta cells

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

reduce 13-cell loss due to hypoxia and stress

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

replication of beta cells

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

seizure disorders

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

spinal cord injury

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

survival of beta cells

Page/Page column title page; 47; 48; 49; 50; 51; 52; 53; 54; 56; 57

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; KAUFMAN, Daniel L.; TIAN, Jide; (76 pag.); WO2017/66240; (2017); (A1) English, View in Reaxys

Pharmaceuticals

Page/Page column 56; 58; 59; 60; 61; 62; 66; 67; 68

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; ROGAWSKI, Michael A.; PESSAH, Isaac N.; CAO, Zhengyu; LEIN, Pamela J.; WO2014/28398; (2014); (A2) English, View in Reaxys

aura

Page/Page column 56; 58; 59; 60; 61; 62; 66; 67; 68

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; ROGAWSKI, Michael A.; PESSAH, Isaac N.; CAO, Zhengyu; LEIN, Pamela J.; WO2014/28398; (2014); (A2) English, View in Reaxys

clonic seizure

Page/Page column 56; 58; 59; 60; 61; 62; 66; 67; 68

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; ROGAWSKI, Michael A.; PESSAH, Isaac N.; CAO, Zhengyu; LEIN, Pamela J.; WO2014/28398; (2014); (A2) English, View in Reaxys

component of com- Page/Page column position comprising 56; 58; 59; 60; 61; a neurosteroid for 62; 66; 67; 68 terminating a seizure

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; ROGAWSKI, Michael A.; PESSAH, Isaac N.; CAO, Zhengyu; LEIN, Pamela J.; WO2014/28398; (2014); (A2) English, View in Reaxys

epilepticus

Page/Page column 56; 58; 59; 60; 61; 62; 66; 67; 68

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; ROGAWSKI, Michael A.; PESSAH, Isaac N.; CAO, Zhengyu; LEIN, Pamela J.; WO2014/28398; (2014); (A2) English, View in Reaxys

for subject suffers from seizure clusters

Page/Page column 56; 58; 59; 60; 61; 62; 66; 67; 68

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; ROGAWSKI, Michael A.; PESSAH, Isaac N.; CAO, Zhengyu; LEIN, Pamela J.; WO2014/28398; (2014); (A2) English, View in Reaxys

for terminating an impending seizure

Page/Page column 56; 58; 59; 60; 61; 62; 66; 67; 68

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; ROGAWSKI, Michael A.; PESSAH, Isaac N.; CAO, Zhengyu; LEIN, Pamela J.; WO2014/28398; (2014); (A2) English, View in Reaxys

26/198

2018-05-24 05:26:41

myoclonic epilepsy

Page/Page column 56; 58; 59; 60; 61; 62; 66; 67; 68

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; ROGAWSKI, Michael A.; PESSAH, Isaac N.; CAO, Zhengyu; LEIN, Pamela J.; WO2014/28398; (2014); (A2) English, View in Reaxys

tonic seizure

Page/Page column 56; 58; 59; 60; 61; 62; 66; 67; 68

Patent; THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; ROGAWSKI, Michael A.; PESSAH, Isaac N.; CAO, Zhengyu; LEIN, Pamela J.; WO2014/28398; (2014); (A2) English, View in Reaxys

succinate dehydrogenase inhibition

Page/Page column 19-20

Patent; BAYER CROPSCIENCE AG; RIECK, Heiko; LACHAISE, Helene; LABOURDETTE, Gilbert; DAVIES, Pete, Howard; STEIGER, Dominique; DE MAYER, Luk; MUSSON IV, George, Hauley; FOUGHT, Lorianne; TAFFOREAU, Sylvain; WO2010/91803; (2010); (A2) English, View in Reaxys

Fruit shelf life extending

Page/Page column 19-20

vegetable shelf life extending

Page/Page column 19-20

Schizophrenia

Patent; MERCK and CO., INC.; WO2009/51715; (2009); (A1) English, View in Reaxys

Psychosis

Patent; PANACEA BIOTEC LTD; WO2007/110878; (2007); (A1) English, View in Reaxys

Psychotic symptoms

Patent; PANACEA BIOTEC LTD; WO2007/110878; (2007); (A1) English, View in Reaxys

schizophrenia

Patent; PANACEA BIOTEC LTD; WO2007/110878; (2007); (A1) English, View in Reaxys

obsessive compulsive disorder

Patent; PANACEA BIOTEC LTD; WO2007/110878; (2007); (A1) English, View in Reaxys

depression

Patent; PANACEA BIOTEC LTD; WO2007/110878; (2007); (A1) English, View in Reaxys

bipolar disorder

Patent; PANACEA BIOTEC LTD; WO2007/110878; (2007); (A1) English, View in Reaxys

Tourette's syndrome

Patent; PANACEA BIOTEC LTD; WO2007/110878; (2007); (A1) English, View in Reaxys

delusions

Patent; PANACEA BIOTEC LTD; WO2007/110878; (2007); (A1) English, View in Reaxys

hallucinations

Patent; PANACEA BIOTEC LTD; WO2007/110878; (2007); (A1) English, View in Reaxys

disorganized speech

Patent; PANACEA BIOTEC LTD; WO2007/110878; (2007); (A1) English, View in Reaxys

grossly disorganized behavior

Patent; PANACEA BIOTEC LTD; WO2007/110878; (2007); (A1) English, View in Reaxys

catatonic behavior

Patent; PANACEA BIOTEC LTD; WO2007/110878; (2007); (A1) English, View in Reaxys

nanoparticulate formulations of a benzodiazepine

Patent; Elan Pharma International Limited; US2006/198896; (2006); (A1) English, View in Reaxys

active ingredient

Patent; Elan Pharma International Limited; US2006/198896; (2006); (A1) English, View in Reaxys

insomnia

Patent; JAGOTEC AG; WO2006/45618; (2006); (A1) English, View in Reaxys

AKR1C2 inhibitor; AKR1C3 inhibitor

Page/Page column 80; 111

Patent; Ghosal, Anima; Kishnani, Narendra S.; Alton, Kevin B.; White, Ronald E.; US2006/276404; (2006); (A1) English, View in Reaxys

Hepatitis C virus (HCV)

Page/Page column 80; 111

Patent; Ghosal, Anima; Kishnani, Narendra S.; Alton, Kevin B.; White, Ronald E.; US2006/276404; (2006); (A1) English, View in Reaxys

Disorder associated Page/Page column with HCV 80; 111

Patent; Ghosal, Anima; Kishnani, Narendra S.; Alton, Kevin B.; White, Ronald E.; US2006/276404; (2006); (A1) English, View in Reaxys

Suitable antipsychotic agent

Patent; Yamanouchi Pharma Technologies, Inc.; US2005/208133; (2005); (A1) English, View in Reaxys

hypnotic agent(fastacting benzodiazepine) of pharmaceutical composi-

Patent; SANTARUS, INC.; WO2005/44199; (2005); (A2) English, View in Reaxys

27/198

2018-05-24 05:26:41

tions comprising a proton pump inhibitor, a buffering agent, and a sleep aid for the subject is awakened by distress associated with the gastric acid related disorder sleep onset insomnia

Patent; SANTARUS, INC.; WO2005/44199; (2005); (A2) English, View in Reaxys

sleep maintenance insomnia

Patent; SANTARUS, INC.; WO2005/44199; (2005); (A2) English, View in Reaxys

sleep offset insomnia

Patent; SANTARUS, INC.; WO2005/44199; (2005); (A2) English, View in Reaxys

bioavailability increases due to complexation with cyclodextrins

Patent; Cyclops, ehf.; US6699849; (2004); (B1) English, View in Reaxys

sedative

Patent; Cyclops, ehf.; US6699849; (2004); (B1) English, View in Reaxys

anti-anxiety

Patent; Cyclops, ehf.; US6699849; (2004); (B1) English, View in Reaxys

anticonvulsant

Patent; Cyclops, ehf.; US6699849; (2004); (B1) English, View in Reaxys

muscle relaxant

Patent; Cyclops, ehf.; US6699849; (2004); (B1) English, View in Reaxys

pre-anaesthetic

Patent; Cyclops, ehf.; US6699849; (2004); (B1) English, View in Reaxys

supplement anaesthesia

Patent; Cyclops, ehf.; US6699849; (2004); (B1) English, View in Reaxys

For induce and maintain anaesthesia

Patent; Cyclops, ehf.; US6699849; (2004); (B1) English, View in Reaxys

For induce a hypnotic effect

Patent; Cyclops, ehf.; US6699849; (2004); (B1) English, View in Reaxys

Quantum Chemical Calculations (1) Calculated Proper- Method (Quantum ties Chemical Calculations) Atom distances, an- further quantum gles; Dipole mochemical calcns. ment, dipole moment derivative; Polarizability, polarizability derivatives; Electronic energy levels

Location

References

supporting informa- Sobaska, Anna W.; Zydek, Grazyna; Wlodno, Piotr; Brzeziska, Elzbietion ta; European Journal of Medicinal Chemistry; vol. 89; (2014); p. 147 - 155, View in Reaxys

Medchem (476) 1 of 476

Target Name

Cytochrome P450 3A4 [human]

Target Synonyms

1,8-cineole 2-exo-monooxygenase; albendazole monooxygenase; albendazole sulfoxidase; cholesterol 25-hydroxylase; cyp3a3; cyp3a4; cypiiia3; cypiiia4; cytochrome p450 3a3; cytochrome p450 3a4; cytochrome p450 hlp; cytochrome p450 nf-25; cytochrome p450-pcn1; nifedipine oxidase; quinine 3-monooxygenase; taurochenodeoxycholate 6-alpha-hydroxylase

Target Uniprot ID

p08684

Target PDB ID

1tqn; 1w0e; 1w0f; 1w0g; 2j0d; 2v0m; 3nxu; 3tjs; 3ua1; 4d6z; 4d75; 4d78; 4d7d; 4i3q; 4i4g; 4i4h; 4k9t; 4k9u; 4k9v; 4k9w; 4k9x; 4ny4; 5a1p; 5a1r; 5te8

Target, Subunit, Species

Cytochrome P450 3A4 [human]

Target Mutant/Chimera Details

Cytochrome P450 3A4 [human]:Wild

28/198

2018-05-24 05:26:41

2 of 476

Target Species (Bioactivity)

human

Target Transfection

Non Transfected

Bioassay Category

Metabolism/Transport

Bioassay Name

Enzymology inhibition

Biological Species/NCBI ID

human

Organs/Tissues

liver

Cell Fraction

Microsome

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

500 nM

Measurement Parameter

% Inhibition

Unit

Measurement Object

ALL

Quantitative value

Measurement pX

Concomitants: Compound RN

24140787; 6182863; 3885115

Concomitants: Compound name

Glucose-6-phosphate; Buprenorphine; NADP

Concomitants: Compound role

COM; SUB; COE

Target Name

Cytochrome P450 3A4 [human]

Target Synonyms

Target Uniprot ID

p08684

Target PDB ID

1tqn; 1w0e; 1w0f; 1w0g; 2j0d; 2v0m; 3nxu; 3tjs; 3ua1; 4d6z; 4d75; 4d78; 4d7d; 4i3q; 4i4g; 4i4h; 4k9t; 4k9u; 4k9v; 4k9w; 4k9x; 4ny4; 5a1p; 5a1r; 5te8

Target, Subunit, Species

Cytochrome P450 3A4 [human]

Target Mutant/Chimera Details

Cytochrome P450 3A4 [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Non Transfected

Bioassay Category

Metabolism/Transport

Bioassay Name

Enzymology inhibition

Biological Species/NCBI ID

human

Organs/Tissues

liver

Cell Fraction

Microsome

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

500 nM

Measurement Parameter

% Inhibition

29/198

2018-05-24 05:26:41

3 of 476

4 of 476

Unit

Measurement Object

ALL

Quantitative value

Measurement pX

Concomitants: Compound RN

19279336; 24140787; 6182863; 3885115

Concomitants: Compound name

NADPH regenerating System; Glucose-6-phosphate; Buprenorphine; NADP

Concomitants: Compound role

VPR; COM; SUB; COE

Target Name

Cytochrome P450 3A4 [human]

Target Synonyms

Target Uniprot ID

p08684

Target PDB ID

1tqn; 1w0e; 1w0f; 1w0g; 2j0d; 2v0m; 3nxu; 3tjs; 3ua1; 4d6z; 4d75; 4d78; 4d7d; 4i3q; 4i4g; 4i4h; 4k9t; 4k9u; 4k9v; 4k9w; 4k9x; 4ny4; 5a1p; 5a1r; 5te8

Target, Subunit, Species

Cytochrome P450 3A4 [human]

Target Mutant/Chimera Details

Cytochrome P450 3A4 [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Non Transfected

Bioassay Category

Metabolism/Transport

Bioassay Name

Enzymology inhibition

Biological Species/NCBI ID

human

Organs/Tissues

liver

Cell Fraction

Microsome

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

500 nM

Measurement Parameter

% Inhibition

Unit

Quantitative value

Measurement pX

Metabolite RN

9596605

Metabolite name

Norbuprenorphine

Concomitants: Compound RN

24140787; 6182863; 3885115

Concomitants: Compound name

Glucose-6-phosphate; Buprenorphine; NADP

Concomitants: Compound role

COM; SUB; COE

Target Name

Cytochrome P450 3A4 [human]

Target Synonyms

1,8-cineole 2-exo-monooxygenase; albendazole monooxygenase; albendazole sulfoxidase; cholesterol 25-hydroxylase; cyp3a3; cyp3a4; cypiiia3; cypiiia4; cytochrome p450 3a3; cytochrome p450

30/198

2018-05-24 05:26:41

3a4; cytochrome p450 hlp; cytochrome p450 nf-25; cytochrome p450-pcn1; nifedipine oxidase; quinine 3-monooxygenase; taurochenodeoxycholate 6-alpha-hydroxylase

5 of 476

Target Uniprot ID

p08684

Target PDB ID

1tqn; 1w0e; 1w0f; 1w0g; 2j0d; 2v0m; 3nxu; 3tjs; 3ua1; 4d6z; 4d75; 4d78; 4d7d; 4i3q; 4i4g; 4i4h; 4k9t; 4k9u; 4k9v; 4k9w; 4k9x; 4ny4; 5a1p; 5a1r; 5te8

Target, Subunit, Species

Cytochrome P450 3A4 [human]

Target Mutant/Chimera Details

Cytochrome P450 3A4 [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Non Transfected

Bioassay Category

Metabolism/Transport

Bioassay Name

Enzymology inhibition

Biological Species/NCBI ID

human

Organs/Tissues

liver

Cell Fraction

Microsome

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

500 nM

Measurement Parameter

% Inhibition

Unit

Quantitative value

Measurement pX

Metabolite RN

9596605

Metabolite name

Norbuprenorphine

Concomitants: Compound RN

19279336; 24140787; 6182863; 3885115

Concomitants: Compound name

NADPH regenerating System; Glucose-6-phosphate; Buprenorphine; NADP

Concomitants: Compound role

VPR; COM; SUB; COE

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |receptor; binding activity Target : calf brainBioassay : affinity for the benzodiazepine receptor evaluated; at 4 deg C brain without cerebella homogenized and centrifuged; 2 washing/ centrifugation cycles using Na phosphate buffer pH 7.4; final resuspension in Tris-HCl buffer pH 7.4 receptor suspension, 0.5 nM <3H>flunitrazepam and title comp. incubated for 45 min at 4 deg C; termination by filtration; filters dispersed in 3.5 ml Rialuma, shaken for 2 h; scintillation counting for 5 min

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

0.00600000 nM

Measurement Parameter

Ki (inhibition constant)

Unit

Quantitative value

7.4

Measurement pX

8.13

Janssen; Hulst; Kellogg; Hendriks; Ensing; De Zeeuw; Pharmazie; vol. 55; nb. 1; (2000); p. 42 - 48, View in Reaxys

31/198

2018-05-24 05:26:41

6 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

diazepam activity in extracts of six brain regions of rats determined by radiorerceptorassay 30 min after i.p. of 2 mg/kg of the drug

Measurement Parameter

qualitative

Fujimoto; Okabayashi; Chemical and Pharmaceutical Bulletin; vol. 30; nb. 3; (1982); p. 1014 - 1017, View in Reaxys 7 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

inhibition of 3H-adenosine acceptance of BKEz7.

Measurement Parameter

qualitative

Melzig; Teuscher; Pharmazie; vol. 41; nb. 8; (1986); p. 604 - 604, View in Reaxys 8 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

reduces spontaneous motion ED50 0.59 mg/kg (p..o.); potentiation of hexobarbital (60 mg/kg) narcosis 2.66-fold (dose 5 mg/kg, p. o.); protection electroshock to 50-70percent (dose 1-5mg/kg, p. o., mouse)

Measurement Parameter

qualitative

Rostock; Hoffmann; Ploen; Bartsch; Pharmazie; vol. 40; nb. 12; (1985); p. 875 - 878, View in Reaxys 9 of 476

Target Name

Cytochrome P450 2E1 [human]

Target Synonyms

4-nitrophenol 2-hydroxylase; cyp2e; cyp2e1; cypiie1; cytochrome p450 2e1; cytochrome p450-j

Target Uniprot ID

p05181

Target PDB ID

3e4e; 3e6i; 3gph; 3koh; 3lc4; 3t3z

Target, Subunit, Species

Cytochrome P450 2E1 [human]

Target Mutant/Chimera Details

Cytochrome P450 2E1 [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Non Transfected

Bioassay Category

Metabolism/Transport

Bioassay Name

Enzymology inhibition

Biological Species/NCBI ID

human

Organs/Tissues

liver

Cell Fraction

Microsome

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

1000 µM

Measurement Parameter

% Inhibition

Unit

32/198

2018-05-24 05:26:41

10 of 476

11 of 476

Quantitative value

Measurement pX

Metabolite RN

1867508

Metabolite name

4-nitrocatechol

Concomitants: Compound RN

24140787; 1281877; 3885115; 84272

Concomitants: Compound name

Glucose-6-phosphate; p-Nitrophenol; NADP; L-(+)-Ascorbic acid

Concomitants: Compound role

COM; SUB; COE; COM

Target Name

Cytochrome P450 2E1 [human]

Target Synonyms

4-nitrophenol 2-hydroxylase; cyp2e; cyp2e1; cypiie1; cytochrome p450 2e1; cytochrome p450-j

Target Uniprot ID

p05181

Target PDB ID

3e4e; 3e6i; 3gph; 3koh; 3lc4; 3t3z

Target, Subunit, Species

Cytochrome P450 2E1 [human]

Target Mutant/Chimera Details

Cytochrome P450 2E1 [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Non Transfected

Bioassay Category

Metabolism/Transport

Bioassay Name

Enzymology inhibition

Biological Species/NCBI ID

human

Organs/Tissues

liver

Cell Fraction

Microsome

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

250 µM

Measurement Parameter

% Inhibition

Unit

Qualitative value

Quantitative value

Measurement pX

Metabolite RN

1867508

Metabolite name

4-nitrocatechol

Concomitants: Compound RN

24140787; 1281877; 3885115; 84272

Concomitants: Compound name

Glucose-6-phosphate; p-Nitrophenol; NADP; L-(+)-Ascorbic acid

Concomitants: Compound role

COM; SUB; COE; COM

Target Name

5-hydroxytryptamine receptor [Rattus norvegicus]; GABA-A receptor [Rattus norvegicus]

Target Synonyms

5-hydroxytryptamine receptor + gaba-a receptor

Target, Subunit, Species

5-hydroxytryptamine receptor [Rattus norvegicus]; GABA-A receptor [Rattus norvegicus]

33/198

2018-05-24 05:26:41

12 of 476

13 of 476

Target Mutant/Chimera Details

5-hydroxytryptamine receptor [Rattus norvegicus]:Wild; GABA-A receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus; Rattus norvegicus

Target Transfection

Non Transfected; Non Transfected

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Specific behaviour

Biological Species/NCBI ID

Sprague Dawley rat

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

percentage

Unit

Measurement Object

incidence (shakes) (Wet Dog Shakes)

Quantitative value

Target Name

5-hydroxytryptamine receptor [Rattus norvegicus]; GABA-A receptor [Rattus norvegicus]

Target Synonyms

5-hydroxytryptamine receptor + gaba-a receptor

Target, Subunit, Species

5-hydroxytryptamine receptor [Rattus norvegicus]; GABA-A receptor [Rattus norvegicus]

Target Mutant/Chimera Details

5-hydroxytryptamine receptor [Rattus norvegicus]:Wild; GABA-A receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus; Rattus norvegicus

Target Transfection

Non Transfected; Non Transfected

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Specific behaviour

Biological Species/NCBI ID

Sprague Dawley rat

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

10 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

percentage

Unit

Measurement Object

incidence (shakes) (Wet Dog Shakes)

Quantitative value

100

Target Name

5-hydroxytryptamine receptor [Rattus norvegicus]; GABA-A receptor [Rattus norvegicus]

Target Synonyms

5-hydroxytryptamine receptor + gaba-a receptor

Target, Subunit, Species

5-hydroxytryptamine receptor [Rattus norvegicus]; GABA-A receptor [Rattus norvegicus]

Target Mutant/Chimera Details

5-hydroxytryptamine receptor [Rattus norvegicus]:Wild; GABA-A receptor [Rattus norvegicus]:Wild

34/198

2018-05-24 05:26:41

14 of 476

15 of 476

Target Species (Bioactivity)

Rattus norvegicus; Rattus norvegicus

Target Transfection

Non Transfected; Non Transfected

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Specific behaviour

Biological Species/NCBI ID

Sprague Dawley rat

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

20 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

percentage

Unit

Measurement Object

incidence (shakes) (Wet Dog Shakes)

Quantitative value

Target Name

5-hydroxytryptamine receptor [Rattus norvegicus]; GABA-A receptor [Rattus norvegicus]

Target Synonyms

5-hydroxytryptamine receptor + gaba-a receptor

Target, Subunit, Species

5-hydroxytryptamine receptor [Rattus norvegicus]; GABA-A receptor [Rattus norvegicus]

Target Mutant/Chimera Details

5-hydroxytryptamine receptor [Rattus norvegicus]:Wild; GABA-A receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus; Rattus norvegicus

Target Transfection

Non Transfected; Non Transfected

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Specific behaviour

Biological Species/NCBI ID

Sprague Dawley rat

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

60 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

percentage

Unit

Measurement Object

incidence (shakes) (Wet Dog Shakes)

Quantitative value

100

Target Name

5-hydroxytryptamine receptor [Rattus norvegicus]; GABA-A receptor [Rattus norvegicus]

Target Synonyms

5-hydroxytryptamine receptor + gaba-a receptor

Target, Subunit, Species

5-hydroxytryptamine receptor [Rattus norvegicus]; GABA-A receptor [Rattus norvegicus]

Target Mutant/Chimera Details

5-hydroxytryptamine receptor [Rattus norvegicus]:Wild; GABA-A receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus; Rattus norvegicus

35/198

2018-05-24 05:26:41

16 of 476

17 of 476

Target Transfection

Non Transfected; Non Transfected

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Specific behaviour

Biological Species/NCBI ID

Sprague Dawley rat

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

number

Measurement Object

shakes per 30 min. (Wet Dog Shakes)

Quantitative value

10.7

Deviation

7.30000

Target Name

5-hydroxytryptamine receptor [Rattus norvegicus]; GABA-A receptor [Rattus norvegicus]

Target Synonyms

5-hydroxytryptamine receptor + gaba-a receptor

Target, Subunit, Species

5-hydroxytryptamine receptor [Rattus norvegicus]; GABA-A receptor [Rattus norvegicus]

Target Mutant/Chimera Details

5-hydroxytryptamine receptor [Rattus norvegicus]:Wild; GABA-A receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus; Rattus norvegicus

Target Transfection

Non Transfected; Non Transfected

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Specific behaviour

Biological Species/NCBI ID

Sprague Dawley rat

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

10 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

number

Measurement Object

shakes per 30 min. (Wet Dog Shakes)

Quantitative value

Deviation

6.70000

Statistical sgnificance (pvalue)

0.05

Target Name

5-hydroxytryptamine receptor [Rattus norvegicus]; GABA-A receptor [Rattus norvegicus]

Target Synonyms

5-hydroxytryptamine receptor + gaba-a receptor

Target, Subunit, Species

5-hydroxytryptamine receptor [Rattus norvegicus]; GABA-A receptor [Rattus norvegicus]

Target Mutant/Chimera Details

5-hydroxytryptamine receptor [Rattus norvegicus]:Wild; GABA-A receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus; Rattus norvegicus

36/198

2018-05-24 05:26:41

18 of 476

19 of 476

Target Transfection

Non Transfected; Non Transfected

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Specific behaviour

Biological Species/NCBI ID

Sprague Dawley rat

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

20 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

number

Measurement Object

shakes per 30 min. (Wet Dog Shakes)

Quantitative value

52.1

Deviation

13.4000

Statistical sgnificance (pvalue)

0.05

Target Name

5-hydroxytryptamine receptor [Rattus norvegicus]; GABA-A receptor [Rattus norvegicus]

Target Synonyms

5-hydroxytryptamine receptor + gaba-a receptor

Target, Subunit, Species

5-hydroxytryptamine receptor [Rattus norvegicus]; GABA-A receptor [Rattus norvegicus]

Target Mutant/Chimera Details

5-hydroxytryptamine receptor [Rattus norvegicus]:Wild; GABA-A receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus; Rattus norvegicus

Target Transfection

Non Transfected; Non Transfected

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Specific behaviour

Biological Species/NCBI ID

Sprague Dawley rat

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

60 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

number

Measurement Object

shakes per 30 min. (Wet Dog Shakes)

Quantitative value

47.7

Deviation

8.80000

Statistical sgnificance (pvalue)

0.05

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

influence on the sleep-waking cycle (mongrel cats of both sexes, 0.03-1 mg/kg p.o.)

37/198

2018-05-24 05:26:41

Measurement Parameter

qualitative

Kuhn; Arzneimittel-Forschung/Drug Research; vol. 36; nb. 3 A; (1986); p. 522 - 527, View in Reaxys 20 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

antiemotional activity, ED50 (mg/kg): 7.5, rats, 0.15, mice; anticonvulsant activity, ED50: 1.6-10.2, rats, 0.079-4.8, mice; inhibition of motor performance, ED50: 1.8-3.0 (p.o.)

Measurement Parameter

qualitative

Boke-Kuhn; Danneberg; Kuhn; Lehr; Arzneimittel-Forschung/Drug Research; vol. 36; nb. 3 A; (1986); p. 528 - 531, View in Reaxys 21 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

ED 50: 0.14 mg/kg - antagonism to corazole; ED 50: 28 mg/kg - elimination of electroshock spasm; ED 50: 5.8 mg/kg - disturbance of motor coordination; ED 50: 80 mg/kg - disturbance of orientation reaction, intraperitoneally (mice)

Measurement Parameter

qualitative

Grinev, A. N.; Krichevskii, E. S.; Romanova, O. B.; Ermakov, A. I.; Sokolov, I. K.; Mashkovskii, M. D.; Pharmaceutical Chemistry Journal; vol. 17; nb. 11; (1983); p. 773 - 776; Khimiko-Farmatsevticheskii Zhurnal; vol. 17; nb. 11; (1983); p. 1300 1304, View in Reaxys 22 of 476

Substance Effect

Contraceptive

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Target : Wistar-KY ratBioassay : control: vehicle treated 4-5 animals groups, aged 7 weeks; the day 4 (expected day of estrus) sacrificed; adrenal glands dissected; homogenized; centrifugated; supernatant aldo-keto reductase activity towards menadione assayed using NADPH as hydrogen donor

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

1 mg/kg

Substance Route of Adm.

oral administration

Qualitative Results

title comp. induced dose-dependently adrenal aldo-keto reductase activity decrease (by ca. 43 percent at 10 mg/kg) (diagram)

Measurement Parameter

qualitative

Inazu, Norihisa; Hayashi, Masako; Hiura, Masanori; Satoh, Tetsuo; Biochemical Pharmacology; vol. 52; nb. 10; (1996); p. 1585 - 1591, View in Reaxys 23 of 476

Substance Effect

Contraceptive

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

1 mg/kg

Substance Route of Adm.

oral administration

38/198

2018-05-24 05:26:41

Qualitative Results

title comp. induced dose-dependently adrenal aldo-keto reductase activity decrease (by ca. 60 percent at 10 mg/kg) (diagram)

Measurement Parameter

qualitative

Inazu, Norihisa; Hayashi, Masako; Hiura, Masanori; Satoh, Tetsuo; Biochemical Pharmacology; vol. 52; nb. 10; (1996); p. 1585 - 1591, View in Reaxys 24 of 476

Substance Effect

Contraceptive

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

1 mg/kg

Substance Route of Adm.

oral administration

Qualitative Results

title comp. induced adrenal aldo-keto reductase activity decrease (by ca. 25 percent) (diagram)

Measurement Parameter

qualitative

Inazu, Norihisa; Hayashi, Masako; Hiura, Masanori; Satoh, Tetsuo; Biochemical Pharmacology; vol. 52; nb. 10; (1996); p. 1585 - 1591, View in Reaxys 25 of 476

Substance Effect

Contraceptive

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

1 mg/kg

Substance Route of Adm.

oral administration

Qualitative Results

title comp. induced slight but significant adrenal aldo-keto reductase activity decrease (diagram)

Measurement Parameter

qualitative

Inazu, Norihisa; Hayashi, Masako; Hiura, Masanori; Satoh, Tetsuo; Biochemical Pharmacology; vol. 52; nb. 10; (1996); p. 1585 - 1591, View in Reaxys 26 of 476

Substance Effect

Contraceptive

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

1 mg/kg

Substance Route of Adm.

oral administration

Qualitative Results

title comp. induced adrenal aldo-keto reductase activity decrease (by ca.65 percent at 10 mg/kg) (diagram)

39/198

2018-05-24 05:26:41

Measurement Parameter

qualitative

Inazu, Norihisa; Hayashi, Masako; Hiura, Masanori; Satoh, Tetsuo; Biochemical Pharmacology; vol. 52; nb. 10; (1996); p. 1585 - 1591, View in Reaxys 27 of 476

Substance Effect

Contraceptive

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Target : Wistar-KY ratBioassay : control: vehicle treated 4-5 animals groups, aged 7 weeks; the day 4 (expected day of estrus) sacrificed; ovaries dissected; homogenized; centrifugated; supernatant aldo-keto reductase activity towards 13,14-dihydro-15-ketoprostaglandin F2λ assayed radiochemically

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

1 mg/kg

Substance Route of Adm.

oral administration

Qualitative Results

title comp. induced significant ovarian aldo-keto reductase activity decrease by ca. 30 percent (diagram)

Measurement Parameter

qualitative

Inazu, Norihisa; Hayashi, Masako; Hiura, Masanori; Satoh, Tetsuo; Biochemical Pharmacology; vol. 52; nb. 10; (1996); p. 1585 - 1591, View in Reaxys 28 of 476

Substance Effect

Contraceptive

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Target : Wistar-KY ratBioassay : control: vehicle treated 4-5 animals groups, aged 7 weeks; the day 4 (expected day of estrus) sacrificed; ovaries dissected; homogenized; centrifugated (105 000 g); supernatant aldo-keto reductase activity towards menadione assayed using NADPH as hydrogen donor

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

1 mg/kg

Substance Route of Adm.

oral administration

Qualitative Results

title comp. did not induce significant changes of ovarian aldo-keto reductase activity (diagram)

Measurement Parameter

qualitative

Inazu, Norihisa; Hayashi, Masako; Hiura, Masanori; Satoh, Tetsuo; Biochemical Pharmacology; vol. 52; nb. 10; (1996); p. 1585 - 1591, View in Reaxys 29 of 476

Substance Effect

Contraceptive

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Target : Wistar-KY ratBioassay : control: vehicle treated 4-5 animals groups, aged 7 weeks; the day 4 (expected day of estrus) sacrificed; ovaries dissected; homogenized; centrifugated (105 000 g); supernatant aldo-keto reductase activity towards p-nitroacetophenone assayed using NADPH as hydrogen donor

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

1 mg/kg

Substance Route of Adm.

oral administration

Qualitative Results

title comp. induced significant ovarian aldo-keto reductase activity decrease by only at 1 mg/kg (diagram)

Measurement Parameter

qualitative

40/198

2018-05-24 05:26:41

Inazu, Norihisa; Hayashi, Masako; Hiura, Masanori; Satoh, Tetsuo; Biochemical Pharmacology; vol. 52; nb. 10; (1996); p. 1585 - 1591, View in Reaxys 30 of 476

Substance Effect

Contraceptive

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Target : Wistar-KY ratBioassay : control: vehicle treated 4-5 animals groups, aged 7 weeks; the day 4 (expected day of estrus) sacrificed; ovaries dissected; homogenized; centrifugated (105 000 g); supernatant aldo-keto reductase activity towards p-nitrobenzaldehyde assayed using NADPH as hydrogen donor

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

1 mg/kg

Substance Route of Adm.

oral administration

Qualitative Results

title comp. did not induce significant changes of ovarian aldo-keto reductase activity (diagram)

Measurement Parameter

qualitative

Inazu, Norihisa; Hayashi, Masako; Hiura, Masanori; Satoh, Tetsuo; Biochemical Pharmacology; vol. 52; nb. 10; (1996); p. 1585 - 1591, View in Reaxys 31 of 476

Substance Effect

Contraceptive

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Target : Wistar-KY ratBioassay : control: vehicle treated 4-5 animals groups, aged 7 weeks; the day 4 (expected day of estrus) sacrificed; ovaries dissected; homogenized; centrifugated (105 000 g); supernatant aldo-keto reductase activity towards 4-benzoylpyridine assayed using NADPH as hydrogen donor

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

1 mg/kg

Substance Route of Adm.

oral administration

Qualitative Results

title comp. induced significant ovarian aldo-keto reductase activity decrease by ca. 40 percent (diagram)

Measurement Parameter

qualitative

Inazu, Norihisa; Hayashi, Masako; Hiura, Masanori; Satoh, Tetsuo; Biochemical Pharmacology; vol. 52; nb. 10; (1996); p. 1585 - 1591, View in Reaxys 32 of 476

Substance Effect

Contraceptive

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Target : Wistar-KY ratBioassay : control: vehicle treated 4-5 animals groups, aged 7 weeks; the day 4 (expected day of estrus) sacrificed; whole body, ovarian, adrenal and uterine weights determined; number of ova in the oviduct determined microscopically

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

1 mg/kg

Substance Route of Adm.

oral administration

Qualitative Results

title comp. induced only at 10 mg/kg uterine weight significant increase, number of ova significantly decreased at 5 mg/kg, 1 from 5 and 2 from five animals were anovulatory at 5 and 10 mg/kg, respectively (table)

Measurement Parameter

qualitative

41/198

2018-05-24 05:26:41

Inazu, Norihisa; Hayashi, Masako; Hiura, Masanori; Satoh, Tetsuo; Biochemical Pharmacology; vol. 52; nb. 10; (1996); p. 1585 - 1591, View in Reaxys 33 of 476

Substance Effect

Cytotoxic

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Bioassay : DMSO as solvent control; PI: proliferation index in vitro; cells preincub. for 6 h; incub. with title comp. in dark for 30 min; irrad. with UVA/UVB light (ca. 1:40); washed; incub. in fresh medium for 24 h; stained; cytotoxicity assessed counting number of clones consist. of >=1-8 cells

Biological Species/NCBI ID

Chinese hamster

Cells/Cell Lines

V79 cell line

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

PI increased above dose of 3.2E-4 mol/l with irradiation

Measurement Parameter

qualitative

Kersten; Kasper; Brendler-Schwaab; Mueller; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 519; nb. 1-2; (2002); p. 49 - 66, View in Reaxys 34 of 476

Substance Effect

Genotoxic

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Bioassay : DMSO as solvent control; 8-methoxypsoralene as positive control in vitro; cells preincub. for 6 h; incub. with title comp. in dark for 30 min; irrad. with UVA/UVB light (ca. 1:40); washed; incub. in fresh medium for 24 h; stained; anal. for presence of micronuclei

Biological Species/NCBI ID

Chinese hamster

Cells/Cell Lines

V79 cell line

Substance RN

757185View in Reaxys

Substance Name

89443

Measurement Parameter

LOAEC

Unit

Quantitative value

0.00032

Measurement pX

3.49

Kersten; Kasper; Brendler-Schwaab; Mueller; Mutation Research - Genetic Toxicology and Environmental Mutagenesis; vol. 519; nb. 1-2; (2002); p. 49 - 66, View in Reaxys 35 of 476

Bioassay Category

Metabolism/Transport

Bioassay Name

Binding

Biological Species/NCBI ID

human

Population State

Healthy

Organs/Tissues

plasma

Substance RN

757185View in Reaxys

Substance Name

C-3059

Substance Dose

5 µg/mL

Measurement Parameter

fu (unbound fraction)

Quantitative value

0.111

Deviation

0.0300000

42/198

2018-05-24 05:26:41

Lucek; Coutinho; Molecular Pharmacology; vol. 12; nb. 4; (1976); p. 612 - 619, View in Reaxys 36 of 476

37 of 476

Target Name

Cytochrome P450 3A [human]

Target Synonyms

cytochrome p450 3a

Target, Subunit, Species

Cytochrome P450 3A [human]

Target Mutant/Chimera Details

Cytochrome P450 3A [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Non Transfected

Bioassay Category

Metabolism/Transport

Bioassay Name

Enzymology inhibition

Biological Species/NCBI ID

human

Organs/Tissues

liver

Cell Fraction

Microsome

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

1 µM

Measurement Parameter

% Inhibition

Unit

Qualitative value

Quantitative value

Measurement pX

Metabolite RN

899031

Metabolite name

1'-Hydroxymidazolam

Concomitants: Compound RN

625572; 506008; 506008; 77911; 77911

Concomitants: Compound name

Midazolam; DMSO; DMSO; NADPH; NADPH

Concomitants: Compound role

SUB; SLV; SLV; COE; COE

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Enzymology inhibition

Biological Species/NCBI ID

human

Organs/Tissues

liver

Cell Fraction

Cytosol

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

50 µM

Measurement Parameter

% Inhibition

Unit

Quantitative value

Measurement pX

Metabolite RN

18416447

43/198

2018-05-24 05:26:41

Metabolite name

M28

Concomitants: Compound RN

19279336; 10502086

Concomitants: Compound name

NADPH regenerating System; [14C]-Boceprevir

Concomitants: Compound role

COM; SUB

; (2011); Type: Clinical Pharmacology Biopharmaceutics Review, Lab: NDA202258, Owner: SCHERING, Number: 000, View in Reaxys 38 of 476

39 of 476

40 of 476

Target Name

enzyme

Target Synonyms

enzyme

Target, Subunit, Species

enzyme

Target Mutant/Chimera Details

enzyme:Wild

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |enzyme; inhib. of Bioassay : S-tetralol: S-(+)-1,2,3,4-tetrahydronaphth-1-ol enzyme incubated with title comp. in 0.1 mol/l potassium phosphate buffer (pH 7.4) containing 0.25 mmol/l NADP(1+) and 1.0 mmol/l S-tetralol; dehydrogenase activity determined

Substance RN

757185View in Reaxys

Substance Name

89443

Measurement Parameter

IC50

Unit

µM

Quantitative value

Measurement pX

Target Name

enzyme

Target Synonyms

enzyme

Target, Subunit, Species

enzyme

Target Mutant/Chimera Details

enzyme:Wild

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |enzyme; inhib. of Bioassay : S-tetralol: S-(+)-1,2,3,4-tetrahydronaphth-1-ol; inhibition constants: Kis (slope effect) and Kii (intercept effect) enzyme incubated with title comp. in 0.1 mol/l potassium phosphate buffer (pH 7.4) containing 0.25 mmol/l NADP(1+) and 1.0 mmol/l Stetralol; dehydrogenase activity determined

Substance RN

757185View in Reaxys

Substance Name

89443

Measurement Parameter

IC50

Unit

µM

Quantitative value

Measurement pX

4.23

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

44/198

2018-05-24 05:26:41

Bioassay Details

Effect : binding affinity; inhibition ofTarget : rat brain cortex membranesBioassay : ref.: rolipram (IC50: 0.058 μmol/l) membranes treated with <3H>-rolipram; title comp. added; displacement of <3H>-rolipram by title comp. determined by binding assay

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

10 µM

Qualitative Results

percent inhibition of binding by title comp. was 6.1 percent; table

Measurement Parameter

qualitative

Collado, M. Carmen; Beleta, Jorge; Martinez, Ester; Miralpeix, Montse; Domenech, Teresa; Palacios, Jose Maria; Hernandez, Jesus; British Journal of Pharmacology; vol. 123; nb. 6; (1998); p. 1047 - 1054, View in Reaxys 41 of 476

Target Name

cGMP-specific 3',5'-cGMP phosphodiesterase 3

Target Synonyms

cgmp-specific 3',5'-cgmp phosphodiesterase 3; ddpde3; pde3; phosphodiesterase 3

Target, Subunit, Species

cGMP-specific 3',5'-cGMP phosphodiesterase 3

Target Mutant/Chimera Details

cGMP-specific 3',5'-cGMP phosphodiesterase 3:Wild

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |enzyme; inhib. of Bioassay : control: vehicle; ref.: rolipram (IC50: 242 μmol/l) enzyme treated with title comp.; cyclic nucleotide phosphodiesterase activities measured by phosphodiesterase assay

Biological Species/NCBI ID

guinea pig

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

200 µM

Measurement Parameter

IC50

Unit

µM

Quantitative value

Measurement pX

4.22

Target Name

cAMP-specific 3',5'-cAMP phosphodiesterase 4

Target Synonyms

camp-specific 3',5'-camp phosphodiesterase 4; ddpde4; pde4; phosphodiesterase 4

Target, Subunit, Species

cAMP-specific 3',5'-cAMP phosphodiesterase 4

Target Mutant/Chimera Details

cAMP-specific 3',5'-cAMP phosphodiesterase 4:Wild

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |enzyme; inhib. of Bioassay : control: vehicle; ref.: rolipram (IC50: 0.32 μmol/l) enzyme treated with title comp.; cyclic nucleotide phosphodiesterase activities measured by phosphodiesterase assay

Biological Species/NCBI ID

guinea pig

Substance RN

757185View in Reaxys

Substance Name

89443

45/198

2018-05-24 05:26:41

Substance Dose

200 µM

Measurement Parameter

IC50

Unit

µM

Quantitative value

Measurement pX

4.06

Target Name

cGMP-specific 3',5'-cyclic phosphodiesterase

Target Synonyms

cgb-pde; cgmp-binding cgmp-specific phosphodiesterase; cgmp-specific 3',5'-cyclic phosphodiesterase; dmpde5/6; dmpde6; pde5; pde5a; pde6

Target, Subunit, Species

cGMP-specific 3',5'-cyclic phosphodiesterase

Target Mutant/Chimera Details

cGMP-specific 3',5'-cyclic phosphodiesterase:Wild

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |enzyme; inhib. of Bioassay : control: vehicle; ref.: rolipram (IC50: 125 μmol/l) enzyme treated with title comp.; cyclic nucleotide phosphodiesterase activities measured by phosphodiesterase assay

Biological Species/NCBI ID

dog

Cells/Cell Lines

thrombocyte

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

200 µM

Measurement Parameter

IC50

Unit

µM

Quantitative value

Measurement pX

4.19

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

taurine cattle

Organs/Tissues

retina

Cell Fraction

Homogenate

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Measurement Parameter

Ki (inhibition constant)

Unit

µM

Quantitative value

0.025

Deviation

0.0100000

Measurement pX

7.6

Concomitants: Compound RN

754371; 702691

46/198

2018-05-24 05:26:41

45 of 476

46 of 476

Concomitants: Compound name

Diazepam; [3H]-Flunitrazepam

Concomitants: Compound role

NSB; RAD

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

Sprague Dawley rat

Organs/Tissues

brain

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Measurement Parameter

Ki (inhibition constant)

Unit

µM

Quantitative value

0.031

Measurement pX

7.51

Concomitants: Compound RN

754371; 702691

Concomitants: Compound name

Diazepam; [3H]-Flunitrazepam

Concomitants: Compound role

NSB; RAD

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Biological Species/NCBI ID

Wistar rat

Substance RN

757185View in Reaxys

Substance Name

7-nitro-5-phenyl-3H-1,4-benzodiazepin-2(1H)-one

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

MED

Unit

mg/kg

Measurement Object

Shock rate increase (test of depressant activities of drugs)

Quantitative value

0.81

HEISE; BOFF; Psychopharmacologia; vol. 3; (1962); p. 264 - 282, View in Reaxys 47 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Biological Species/NCBI ID

Wistar rat

Substance RN

757185View in Reaxys

Substance Name

7-nitro-5-phenyl-3H-1,4-benzodiazepin-2(1H)-one

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

MED

Unit

mg/kg

47/198

2018-05-24 05:26:41

Measurement Object

Avoidance rate decrease (test of depressant activities of drugs)

Quantitative value

HEISE; BOFF; Psychopharmacologia; vol. 3; (1962); p. 264 - 282, View in Reaxys 48 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Biological Species/NCBI ID

Wistar rat

Substance RN

757185View in Reaxys

Substance Name

7-nitro-5-phenyl-3H-1,4-benzodiazepin-2(1H)-one

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

MED

Unit

mg/kg

Measurement Object

Escape failure (test of depressant activities of drugs)

Quantitative value

HEISE; BOFF; Psychopharmacologia; vol. 3; (1962); p. 264 - 282, View in Reaxys 49 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Biological Species/NCBI ID

Wistar rat

Substance RN

757185View in Reaxys

Substance Name

7-nitro-5-phenyl-3H-1,4-benzodiazepin-2(1H)-one

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

MED

Unit

mg/kg

Measurement Object

Avoidance rate increase (test of stimulant activities of drugs)

Quantitative value

HEISE; BOFF; Psychopharmacologia; vol. 3; (1962); p. 264 - 282, View in Reaxys 50 of 476

Substance Effect

Myorelaxant

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Uterine contraction/ relaxation

Biological Species/NCBI ID

Sprague Dawley rat

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Route of Adm.

intravenous administration

Substance Dosing Regimen

Single

Measurement Parameter

ED50

Unit

mg/kg

Quantitative value

3.63

Deviation

1.76000

48/198

2018-05-24 05:26:41

Concomitants: Compound RN

635810

Concomitants: Compound name

Urethane

Concomitants: Compound role

ANA

Zupko, Istvan; Janossy, Kinga; Maul, Katalin; Marki, Arpad; Falkay, George; Life Sciences; vol. 72; nb. 10; (2003); p. 1093 - 1102, View in Reaxys 51 of 476

Target Name

alpha1-adrenergic receptor [Rattus norvegicus]

Target Synonyms

alpha1-adrenergic receptor

Target, Subunit, Species

alpha1-adrenergic receptor [Rattus norvegicus]

Target Mutant/Chimera Details

alpha1-adrenergic receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

Sprague Dawley rat

Organs/Tissues

myometrium

Cell Fraction

Membrane

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

1.00000E-09 M

Measurement Parameter

Ki (inhibition constant)

Unit

Quantitative value

22300

Deviation

9170

Measurement pX

4.65

Concomitants: Compound RN

272944; 8728926

Concomitants: Compound name

Phentolamine; [3H]-Prazosin

Concomitants: Compound role

NSB; RAD

Zupko, Istvan; Janossy, Kinga; Maul, Katalin; Marki, Arpad; Falkay, George; Life Sciences; vol. 72; nb. 10; (2003); p. 1093 - 1102, View in Reaxys 52 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

Wistar rat

Organs/Tissues

forebrain

Cell Fraction

P2 fraction: membrane

Substance RN

757185View in Reaxys

Substance Name

RO 5-3059 (nitrazepam)

Measurement Parameter

IC50

49/198

2018-05-24 05:26:41

53 of 476

Unit

Quantitative value

Measurement pX

7.47

Concomitants: Compound RN

754371; 754371

Concomitants: Compound name

Diazepam; [3H]-Diazepam

Concomitants: Compound role

NSB; RAD

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |receptor; binding activity Bioassay : membrane preparation incubated for 2 h at 4 deg C with 1 nM <3H>flunitrazepam (FLU); liquid scintillation counter

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

1.00000E-11 M

Measurement Parameter

IC50

Unit

Quantitative value

59.8

Measurement pX

7.22

Noguchi, Hideaki; Kitazumi, Kazuhiro; Mori, Megumi; Shiba, Toshiharu; European Journal of Pharmacology; vol. 434; nb. 1-2; (2002); p. 21 - 28, View in Reaxys 54 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : |receptor; binding activity Bioassay : membrane preparation incubated for 2.5 h at 4 deg C with 2.5 nM <3H>Ro5-4864; liquid scintillation counter

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

1.00000E-11 M

Measurement Parameter

IC50

Unit

Quantitative value

10000

Measurement pX

Noguchi, Hideaki; Kitazumi, Kazuhiro; Mori, Megumi; Shiba, Toshiharu; European Journal of Pharmacology; vol. 434; nb. 1-2; (2002); p. 21 - 28, View in Reaxys 55 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

Rattus norvegicus

Organs/Tissues

frontal cortex

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

50/198

2018-05-24 05:26:41

56 of 476

Measurement Parameter

IC50

Unit

Quantitative value

100

Measurement pX

Concomitants: Compound RN

754371; 754371

Concomitants: Compound name

Diazepam; [3H]-Diazepam; Salvia officinalis extracts

Concomitants: Compound role

NSB; RAD; COM

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

influence on subjective and objective assesments of sleep and early morning behaviour alone and with either clobazam or dichloralphenazone (dose 2.5-5 mg capsule, human); benzodiazepine hypnotic; possibly potentiate effect of anxiolytic and sedative

Measurement Parameter

qualitative

Hindmarch; Parrott; Arzneimittel-Forschung/Drug Research; vol. 30; nb. 6; (1980); p. 1025 - 1028, View in Reaxys 57 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

Deviation

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 58 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

51/198

2018-05-24 05:26:41

Measurement Parameter

tmax

Unit

hour

Quantitative value

2.2

Deviation

0.400000

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 59 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

AUC (0-3 h)

Unit

ng.h/mL

Quantitative value

Deviation

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 60 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

AUC (0-inf)

Unit

ng.h/mL

Quantitative value

1330

Deviation

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 61 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

52/198

2018-05-24 05:26:41

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

Deviation

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 62 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 63 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

tmax

Unit

hour

Quantitative value

2.2

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 64 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

53/198

2018-05-24 05:26:41

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

AUC (0-3 h)

Unit

ng.h/mL

Quantitative value

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 65 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

AUC (0-inf)

Unit

ng.h/mL

Quantitative value

1330

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 66 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 67 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

54/198

2018-05-24 05:26:41

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax i/Cmax

Quantitative value

1.28

Concomitants: Compound RN

75279

Concomitants: Compound name

Erythromycin

Concomitants: Compound role

ICP

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 68 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

AUC (0-3 h)

Quantitative value

1.3

Concomitants: Compound RN

75279

Concomitants: Compound name

Erythromycin

Concomitants: Compound role

ICP

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 69 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

AUC i/AUC (0-inf)

Quantitative value

1.25

55/198

2018-05-24 05:26:41

Concomitants: Compound RN

75279

Concomitants: Compound name

Erythromycin

Concomitants: Compound role

ICP

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 70 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el i/t1/2 el

Quantitative value

1.12

Concomitants: Compound RN

75279

Concomitants: Compound name

Erythromycin

Concomitants: Compound role

ICP

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 71 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax i/Cmax

Quantitative value

1.3

Concomitants: Compound RN

75279

Concomitants: Compound name

Erythromycin

Concomitants: Compound role

ICP

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 72 of 476

Bioassay Category

Pharmacokinetic

56/198

2018-05-24 05:26:41

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

AUC (0-3 h)

Quantitative value

1.29

Concomitants: Compound RN

75279

Concomitants: Compound name

Erythromycin

Concomitants: Compound role

ICP

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 73 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

AUC i/AUC (0-inf)

Quantitative value

1.25

Concomitants: Compound RN

75279

Concomitants: Compound name

Erythromycin

Concomitants: Compound role

ICP

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 74 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

57/198

2018-05-24 05:26:41

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

78.7

Deviation

2.45000

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 75 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

30.47

Deviation

1.99000

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 76 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL (0-inf)

Unit

mL/min

Quantitative value

46.07

Deviation

4.13000

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 77 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

58/198

2018-05-24 05:26:41

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Vd (0-inf)

Unit

Quantitative value

111.6

Deviation

15.0400

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 78 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

tmax

Unit

hour

Quantitative value

0.8

Deviation

0.0700000

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 79 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

kabs

Unit

h-1

Quantitative value

2.69

59/198

2018-05-24 05:26:41

Deviation

0.410000

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 80 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

MTT

Unit

hour

Quantitative value

8.03

Deviation

0.290000

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 81 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

76.3

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 82 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

60/198

2018-05-24 05:26:41

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

32.7

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 83 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL (0-inf)

Unit

mL/min

Quantitative value

41.7

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 84 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Vd (0-inf)

Unit

Quantitative value

118.9

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 85 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

61/198

2018-05-24 05:26:41

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

tmax

Unit

hour

Quantitative value

0.75

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 86 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

kabs

Unit

h-1

Quantitative value

3.15

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 87 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

MTT

Unit

hour

Quantitative value

8.36

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 88 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

62/198

2018-05-24 05:26:41

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

81.2

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 89 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

28.9

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 90 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL (0-inf)

Unit

mL/min

Quantitative value

49.9

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 91 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

63/198

2018-05-24 05:26:41

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Vd (0-inf)

Unit

Quantitative value

94.3

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 92 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

tmax

Unit

hour

Quantitative value

0.76

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 93 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

kabs

Unit

h-1

Quantitative value

2.59

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys

64/198

2018-05-24 05:26:41

94 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

MTT

Unit

hour

Quantitative value

7.93

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 95 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

78.6

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 96 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

29.8

65/198

2018-05-24 05:26:41

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 97 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL (0-inf)

Unit

mL/min

Quantitative value

46.6

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 98 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Vd (0-inf)

Unit

Quantitative value

121.6

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 99 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

tmax

66/198

2018-05-24 05:26:41

Unit

hour

Quantitative value

0.88

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 100 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

kabs

Unit

h-1

Quantitative value

2.34

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 101 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

MTT

Unit

hour

Quantitative value

7.81

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 102 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

67/198

2018-05-24 05:26:41

Substance Dosing Regimen

Single

Measurement Parameter

Cmax i/Cmax

Quantitative value

0.962

Concomitants: Compound RN

5723476

Concomitants: Compound name

Rifampicin

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 103 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el i/t1/2 el

Quantitative value

0.609

Concomitants: Compound RN

5723476

Concomitants: Compound name

Rifampicin

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 104 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL i/CL (0-inf)

Quantitative value

1.83

Concomitants: Compound RN

5723476

68/198

2018-05-24 05:26:41

Concomitants: Compound name

Rifampicin

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 105 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Vd i/Vd (0-inf)

Quantitative value

1.02

Concomitants: Compound RN

5723476

Concomitants: Compound name

Rifampicin

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 106 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

kabs i/kabs

Quantitative value

0.937

Concomitants: Compound RN

5723476

Concomitants: Compound name

Rifampicin

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys

69/198

2018-05-24 05:26:41

107 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax i/Cmax

Quantitative value

1.08

Concomitants: Compound RN

2815775

Concomitants: Compound name

Probenecid

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 108 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el i/t1/2 el

Quantitative value

1.21

Concomitants: Compound RN

2815775

Concomitants: Compound name

Probenecid

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 109 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

70/198

2018-05-24 05:26:41

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL i/CL (0-inf)

Quantitative value

0.749

Concomitants: Compound RN

2815775

Concomitants: Compound name

Probenecid

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 110 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Vd i/Vd (0-inf)

Quantitative value

1.24

Concomitants: Compound RN

2815775

Concomitants: Compound name

Probenecid

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 111 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

kabs i/kabs

71/198

2018-05-24 05:26:41

Quantitative value

1.15

Concomitants: Compound RN

2815775

Concomitants: Compound name

Probenecid

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 112 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax i/Cmax

Quantitative value

0.929

Concomitants: Compound RN

5723476; 2815775

Concomitants: Compound name

Rifampicin; Probenecid

Concomitants: Compound role

ICP; ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 113 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el i/t1/2 el

Quantitative value

0.829

Concomitants: Compound RN

5723476; 2815775

Concomitants: Compound name

Rifampicin; Probenecid

72/198

2018-05-24 05:26:41

Concomitants: Compound role

ICP; ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 114 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL i/CL (0-inf)

Quantitative value

1.31

Concomitants: Compound RN

5723476; 2815775

Concomitants: Compound name

Rifampicin; Probenecid

Concomitants: Compound role

ICP; ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 115 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Vd i/Vd (0-inf)

Quantitative value

1.16

Concomitants: Compound RN

5723476; 2815775

Concomitants: Compound name

Rifampicin; Probenecid

Concomitants: Compound role

ICP; ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 116 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

73/198

2018-05-24 05:26:41

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

kabs i/kabs

Quantitative value

1.13

Concomitants: Compound RN

5723476; 2815775

Concomitants: Compound name

Rifampicin; Probenecid

Concomitants: Compound role

ICP; ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 117 of 476

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Fighting behaviour

Biological Species/NCBI ID

Swiss Webster mouse

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

7.50000 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

% Inhibition

Unit

Measurement Object

of aggressive behavior

Quantitative value

25 - 100

Valzelli; Giacalone; Garattini; European journal of pharmacology; vol. 2; nb. 2; (1967); p. 144 - 146, View in Reaxys 118 of 476

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Fighting behaviour

Biological Species/NCBI ID

Swiss Webster mouse

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

15 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

74/198

2018-05-24 05:26:41

Measurement Parameter

% Inhibition

Unit

Measurement Object

of aggressive behavior

Quantitative value

25 - 100

Valzelli; Giacalone; Garattini; European journal of pharmacology; vol. 2; nb. 2; (1967); p. 144 - 146, View in Reaxys 119 of 476

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Fighting behaviour

Biological Species/NCBI ID

Swiss Webster mouse

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

30 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

% Inhibition

Unit

Measurement Object

of aggressive behavior

Quantitative value

75 - 100

Valzelli; Giacalone; Garattini; European journal of pharmacology; vol. 2; nb. 2; (1967); p. 144 - 146, View in Reaxys 120 of 476

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Fighting behaviour

Biological Species/NCBI ID

Swiss Webster mouse

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

7.50000 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

time

Unit

hour

Measurement Object

Inhibition

Quantitative value

Valzelli; Giacalone; Garattini; European journal of pharmacology; vol. 2; nb. 2; (1967); p. 144 - 146, View in Reaxys 121 of 476

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Fighting behaviour

Biological Species/NCBI ID

Swiss Webster mouse

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

75/198

2018-05-24 05:26:41

Substance Dose

15 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

time

Unit

hour

Measurement Object

Inhibition

Quantitative value

Valzelli; Giacalone; Garattini; European journal of pharmacology; vol. 2; nb. 2; (1967); p. 144 - 146, View in Reaxys 122 of 476

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Bioassay Name

Fighting behaviour

Biological Species/NCBI ID

Swiss Webster mouse

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

30 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

time

Unit

hour

Measurement Object

Inhibition

Quantitative value

Valzelli; Giacalone; Garattini; European journal of pharmacology; vol. 2; nb. 2; (1967); p. 144 - 146, View in Reaxys 123 of 476

Target Name

GABA-A receptor [Rattus norvegicus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Rattus norvegicus]

Target Mutant/Chimera Details

GABA-A receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

Rattus norvegicus

Organs/Tissues

hippocampus

Cell Fraction

Membrane

Substance RN

757185View in Reaxys

Substance Name

Measurement Parameter

IC50

Unit

Quantitative value

20.8

Deviation

76/198

2018-05-24 05:26:41

124 of 476

125 of 476

Measurement pX

7.68

Concomitants: Compound RN

754371; 702691

Concomitants: Compound name

Diazepam; [3H]-Flunitrazepam

Concomitants: Compound role

NSB; RAD

Target Name

GABA-A receptor [Rattus norvegicus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Rattus norvegicus]

Target Mutant/Chimera Details

GABA-A receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

Rattus norvegicus

Organs/Tissues

cerebellum

Cell Fraction

Membrane

Substance RN

757185View in Reaxys

Substance Name

Measurement Parameter

IC50

Unit

Quantitative value

Deviation

6.80000

Measurement pX

7.62

Concomitants: Compound RN

754371; 702691

Concomitants: Compound name

Diazepam; [3H]-Flunitrazepam

Concomitants: Compound role

NSB; RAD

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

ng/mL

77/198

2018-05-24 05:26:41

Quantitative value

Deviation

Statistical sgnificance (pvalue)

0.047

Concomitants: Compound RN

75279

Concomitants: Compound name

Erythromycin

Concomitants: Compound role

ICP

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 126 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

tmax

Unit

hour

Quantitative value

Deviation

0.100000

Statistical sgnificance (pvalue)

0.033

Concomitants: Compound RN

75279

Concomitants: Compound name

Erythromycin

Concomitants: Compound role

ICP

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 127 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

AUC (0-3 h)

78/198

2018-05-24 05:26:41

Unit

ng.h/mL

Quantitative value

Deviation

Statistical sgnificance (pvalue)

0.017

Concomitants: Compound RN

75279

Concomitants: Compound name

Erythromycin

Concomitants: Compound role

ICP

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 128 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

AUC (0-inf)

Unit

ng.h/mL

Quantitative value

1660

Deviation

Statistical sgnificance (pvalue)

0.013

Concomitants: Compound RN

75279

Concomitants: Compound name

Erythromycin

Concomitants: Compound role

ICP

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 129 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

79/198

2018-05-24 05:26:41

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

Deviation

Concomitants: Compound RN

75279

Concomitants: Compound name

Erythromycin

Concomitants: Compound role

ICP

Luurila; Olkkola; Neuvonen; Pharmacology and Toxicology; vol. 76; nb. 4; (1995); p. 255 - 258, View in Reaxys 130 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

73.4

Deviation

7.90000

Concomitants: Compound RN

5723476

Concomitants: Compound name

Rifampicin

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 131 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

Unit

hour

80/198

2018-05-24 05:26:41

Quantitative value

19.9

Deviation

4.57000

Statistical sgnificance (pvalue)

0.01

Concomitants: Compound RN

5723476

Concomitants: Compound name

Rifampicin

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 132 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL (0-inf)

Unit

mL/min

Quantitative value

76.3

Deviation

22.6000

Statistical sgnificance (pvalue)

0.01

Concomitants: Compound RN

5723476

Concomitants: Compound name

Rifampicin

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 133 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

81/198

2018-05-24 05:26:41

Measurement Parameter

Vd (0-inf)

Unit

Quantitative value

120.8

Deviation

32.2000

Concomitants: Compound RN

5723476

Concomitants: Compound name

Rifampicin

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 134 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

tmax

Unit

hour

Quantitative value

0.56

Deviation

0.180000

Concomitants: Compound RN

5723476

Concomitants: Compound name

Rifampicin

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 135 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

kabs

82/198

2018-05-24 05:26:41

Unit

h-1

Quantitative value

2.95

Deviation

0.570000

Concomitants: Compound RN

5723476

Concomitants: Compound name

Rifampicin

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 136 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

MTT

Unit

hour

Quantitative value

5.91

Deviation

1.22000

Statistical sgnificance (pvalue)

0.01

Concomitants: Compound RN

5723476

Concomitants: Compound name

Rifampicin

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 137 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

83/198

2018-05-24 05:26:41

Unit

ng/mL

Quantitative value

87.6

Deviation

18.2000

Concomitants: Compound RN

2815775

Concomitants: Compound name

Probenecid

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 138 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

Deviation

4.87000

Statistical sgnificance (pvalue)

0.05

Concomitants: Compound RN

2815775

Concomitants: Compound name

Probenecid

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 139 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL (0-inf)

84/198

2018-05-24 05:26:41

Unit

mL/min

Quantitative value

37.4

Deviation

17.5000

Statistical sgnificance (pvalue)

0.05

Concomitants: Compound RN

2815775

Concomitants: Compound name

Probenecid

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 140 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Vd (0-inf)

Unit

Quantitative value

116.9

Deviation

Concomitants: Compound RN

2815775

Concomitants: Compound name

Probenecid

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 141 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

tmax

85/198

2018-05-24 05:26:41

Unit

hour

Quantitative value

0.91

Deviation

0.350000

Concomitants: Compound RN

2815775

Concomitants: Compound name

Probenecid

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 142 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

kabs

Unit

h-1

Quantitative value

2.97

Deviation

0.710000

Concomitants: Compound RN

2815775

Concomitants: Compound name

Probenecid

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 143 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

MTT

Unit

hour

86/198

2018-05-24 05:26:41

Quantitative value

9.56

Deviation

1.18000

Statistical sgnificance (pvalue)

0.05

Concomitants: Compound RN

2815775

Concomitants: Compound name

Probenecid

Concomitants: Compound role

ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 144 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

Deviation

20.3000

Concomitants: Compound RN

5723476; 2815775

Concomitants: Compound name

Rifampicin; Probenecid

Concomitants: Compound role

ICP; ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 145 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

Unit

hour

87/198

2018-05-24 05:26:41

Quantitative value

24.7

Deviation

3.60000

Statistical sgnificance (pvalue)

0.05

Concomitants: Compound RN

5723476; 2815775

Concomitants: Compound name

Rifampicin; Probenecid

Concomitants: Compound role

ICP; ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 146 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL (0-inf)

Unit

mL/min

Quantitative value

60.9

Deviation

24.6000

Statistical sgnificance (pvalue)

0.05

Concomitants: Compound RN

5723476; 2815775

Concomitants: Compound name

Rifampicin; Probenecid

Concomitants: Compound role

ICP; ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 147 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

88/198

2018-05-24 05:26:41

Measurement Parameter

Vd (0-inf)

Unit

Quantitative value

140.9

Deviation

54.8000

Concomitants: Compound RN

5723476; 2815775

Concomitants: Compound name

Rifampicin; Probenecid

Concomitants: Compound role

ICP; ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 148 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

tmax

Unit

hour

Quantitative value

0.81

Deviation

0.370000

Concomitants: Compound RN

5723476; 2815775

Concomitants: Compound name

Rifampicin; Probenecid

Concomitants: Compound role

ICP; ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 149 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

kabs

89/198

2018-05-24 05:26:41

Unit

h-1

Quantitative value

2.64

Deviation

0.650000

Concomitants: Compound RN

5723476; 2815775

Concomitants: Compound name

Rifampicin; Probenecid

Concomitants: Compound role

ICP; ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 150 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

MTT

Unit

hour

Quantitative value

6.84

Deviation

1.26000

Statistical sgnificance (pvalue)

0.05

Concomitants: Compound RN

5723476; 2815775

Concomitants: Compound name

Rifampicin; Probenecid

Concomitants: Compound role

ICP; ICP

Brockmeyer; Mertins; Klimek; Goos; Ohnhaus; International Journal of Clinical Pharmacology Therapy and Toxicology; vol. 28; nb. 9; (1990); p. 387 - 393, View in Reaxys 151 of 476

Target Name

GABA-A receptor [Rattus norvegicus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Rattus norvegicus]

Target Mutant/Chimera Details

GABA-A receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

Chbb:THOM rat

90/198

2018-05-24 05:26:41

152 of 476

153 of 476

Organs/Tissues

brain cortex

Cell Fraction

Membrane

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Measurement Parameter

IC50

Unit

Quantitative value

Deviation

2.70000

Measurement pX

Concomitants: Compound RN

754371; 702691

Concomitants: Compound name

Diazepam; [3H]-Flunitrazepam

Concomitants: Compound role

NSB; RAD

Target Name

GABA-A receptor [Rattus norvegicus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Rattus norvegicus]

Target Mutant/Chimera Details

GABA-A receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

Chbb:THOM rat

Organs/Tissues

brain cortex

Cell Fraction

Membrane

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Measurement Parameter

IC50

Unit

Quantitative value

26.4

Deviation

2.70000

Measurement pX

7.58

Concomitants: Compound RN

839277

Concomitants: Compound name

[3H]-Brotizolam

Concomitants: Compound role

RAD

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

91/198

2018-05-24 05:26:41

Qualitative Results

anticonvulsant activities: anti-maximal electroshock seizure activity, ED 50: 13.4 mg/kg (male ddSTD mice)

Measurement Parameter

qualitative

Masuda; Karasawa; Shiraishi; Hori; Yoshida; Shimizu; Arzneimittel-Forschung/Drug Research; vol. 30; nb. 3; (1980); p. 477 - 483, View in Reaxys 154 of 476

155 of 476

Target Name

Cytochrome P450 3A4 [human]

Target Synonyms

Target Uniprot ID

p08684

Target PDB ID

1tqn; 1w0e; 1w0f; 1w0g; 2j0d; 2v0m; 3nxu; 3tjs; 3ua1; 4d6z; 4d75; 4d78; 4d7d; 4i3q; 4i4g; 4i4h; 4k9t; 4k9u; 4k9v; 4k9w; 4k9x; 4ny4; 5a1p; 5a1r; 5te8

Target, Subunit, Species

Cytochrome P450 3A4 [human]

Target Mutant/Chimera Details

Cytochrome P450 3A4 [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Non Transfected

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Measurement Parameter

fm(E)

Measurement Object

Rank order

Quantitative value

0.6

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

activity in exploratory behavior test in rats

Measurement Parameter

qualitative

Biagi; Barbaro m.; Guerra; et al.; Journal of Medicinal Chemistry; vol. 23; nb. 2; (1980); p. 193 - 201, View in Reaxys 156 of 476

Substance Effect

Anticonvulsant

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Bioassay : AD: afterdischarge bipolar electrodes implanted into right amygdala; stimulation (sufficient to induce AD) performed 1 h after title comp. administration for 15 d; seizure stage and AD duration tested at days 1 - 30; amygdaloid kindling classified by Racine method

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

0.290000 mg/kg

92/198

2018-05-24 05:26:41

Substance Route of Adm.

oral administration

Qualitative Results

title comp. inhibited AD duration and evolution of fully kindled seizure activity at day 15 (control/ title comp. stage 5/1-2); seizure stage and AD duration increased up to control at day 30 (figure)

Measurement Parameter

qualitative

Fukinaga, Masafumi; Ishizawa, Keisuke; Kamei, Chiaki; Pharmacology; vol. 57; nb. 5; (1998); p. 233 - 241, View in Reaxys 157 of 476

Substance Effect

Anticonvulsant

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Effect : seizure stageBioassay : AD: afterdischarge bipolar electrodes implanted into right amygdala of rats; stimulation: 60 Hz, 1 ms and 1 s duration at intensity sufficient to induce AD; stimulation performed 1 h after title comp. administration; amygdaloid kindling classified by Racine method

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

0.100000 mg/kg

Substance Route of Adm.

oral administration

Measurement Parameter

ED50

Unit

mg/kg

Quantitative value

0.29

Fukinaga, Masafumi; Ishizawa, Keisuke; Kamei, Chiaki; Pharmacology; vol. 57; nb. 5; (1998); p. 233 - 241, View in Reaxys 158 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

10 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

Deviation

7.20000

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 159 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

10 mg

93/198

2018-05-24 05:26:41

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

tmax

Unit

hour

Quantitative value

1.24

Deviation

0.430000

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 160 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

10 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Vd (volume of distribution)

Unit

L/kg

Quantitative value

2.67

Deviation

0.210000

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 161 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

10 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

22.2

Deviation

1.90000

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 162 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

94/198

2018-05-24 05:26:41

Biological Species/NCBI ID

human

Population State

Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

10 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL (drug clearance)

Unit

mL/min/kg

Quantitative value

1.41

Deviation

0.100000

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 163 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

10 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 164 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

10 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

tmax

Unit

hour

Quantitative value

1.24

95/198

2018-05-24 05:26:41

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 165 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

10 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Vd (volume of distribution)

Unit

L/kg

Quantitative value

2.67

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 166 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

10 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

22.2

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 167 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

10 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL (drug clearance)

96/198

2018-05-24 05:26:41

Unit

mL/min/kg

Quantitative value

1.41

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 168 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

10 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax i/Cmax

Quantitative value

Concomitants: Compound RN

9406848

Concomitants: Compound name

Cimetidine

Concomitants: Compound role

ICP

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 169 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

10 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Vd i/Vd

Quantitative value

1.05

Concomitants: Compound RN

9406848

Concomitants: Compound name

Cimetidine

Concomitants: Compound role

ICP

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 170 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

97/198

2018-05-24 05:26:41

Biological Species/NCBI ID

human

Population State

Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

10 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el i/t1/2 el

Quantitative value

1.25

Concomitants: Compound RN

9406848

Concomitants: Compound name

Cimetidine

Concomitants: Compound role

ICP

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 171 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

10 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL i/CL

Quantitative value

0.83

Concomitants: Compound RN

9406848

Concomitants: Compound name

Cimetidine

Concomitants: Compound role

ICP

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 172 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

10 mg

98/198

2018-05-24 05:26:41

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

Deviation

15.3000

Statistical sgnificance (Qualitative)

Concomitants: Compound RN

9406848

Concomitants: Compound name

Cimetidine

Concomitants: Compound role

ICP

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 173 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

10 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

tmax

Unit

hour

Quantitative value

Deviation

0.400000

Statistical sgnificance (Qualitative)

Concomitants: Compound RN

9406848

Concomitants: Compound name

Cimetidine

Concomitants: Compound role

ICP

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 174 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Smoker

Substance RN

757185View in Reaxys

99/198

2018-05-24 05:26:41

Substance Name

nitrazepam

Substance Dose

10 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Vd (volume of distribution)

Unit

L/kg

Quantitative value

2.81

Deviation

0.270000

Statistical sgnificance (Qualitative)

Concomitants: Compound RN

9406848

Concomitants: Compound name

Cimetidine

Concomitants: Compound role

ICP

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 175 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

10 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

27.8

Deviation

Statistical sgnificance (Qualitative)

Concomitants: Compound RN

9406848

Concomitants: Compound name

Cimetidine

Concomitants: Compound role

ICP

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 176 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

100/198

2018-05-24 05:26:41

Population State

Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

10 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL (drug clearance)

Unit

mL/min/kg

Quantitative value

1.17

Deviation

0.0800000

Statistical sgnificance (pvalue)

0.005

Concomitants: Compound RN

9406848

Concomitants: Compound name

Cimetidine

Concomitants: Compound role

ICP

Ochs; Greenblatt; Gugler; Muentefering; Locniskar; Abernethy; Clinical Pharmacology and Therapeutics; vol. 34; nb. 2; (1983); p. 227 - 230, View in Reaxys 177 of 476

Bioassay Category

Metabolism/Transport

Bioassay Name

Binding

Biological Species/NCBI ID

human

Organs/Tissues

plasma

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Measurement Parameter

fu (unbound fraction)

Quantitative value

0.12

Votano, Joseph R.; Parham, Marc; Hall, L. Mark; Hall, Lowell H.; Kier, Lemont B.; Oloff, Scott; Tropsha, Alexander; Journal of Medicinal Chemistry; vol. 49; nb. 24; (2006); p. 7169 - 7181, View in Reaxys 178 of 476

Bioassay Category

Metabolism/Transport

Bioassay Name

Enzymology induction

Biological Species/NCBI ID

human

Organs/Tissues

liver

Cells/Cell Lines

liver cell

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

0.0500000 mg/L

Measurement Parameter

Fold-increase

Qualitative value

Measurement pX

Vrzal, Radim; Kubesova, Katerina; Pavek, Petr; Dvorak, Zdenek; Toxicology Letters; vol. 193; nb. 2; (2010); p. 183 - 188, View in Reaxys

101/198

2018-05-24 05:26:41

179 of 476

Bioassay Category

Metabolism/Transport

Bioassay Name

Enzymology induction

Biological Species/NCBI ID

human

Organs/Tissues

liver

Cells/Cell Lines

liver cell

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

0.0500000 mg/L

Measurement Parameter

Fold-increase

Qualitative value

Measurement pX

Vrzal, Radim; Kubesova, Katerina; Pavek, Petr; Dvorak, Zdenek; Toxicology Letters; vol. 193; nb. 2; (2010); p. 183 - 188, View in Reaxys 180 of 476

Target Name

Nuclear receptor subfamily 1 group I member 2 [human]

Target Synonyms

nr1i2; nuclear receptor subfamily 1 group i member 2; orphan nuclear receptor par1; orphan nuclear receptor pxr; pregnane x receptor; pxr; steroid and xenobiotic receptor; sxr

Target Uniprot ID

o75469

Target PDB ID

1ilg; 1ilh; 1m13; 1nrl; 1skx; 2o9i; 2qnv; 3ctb; 3hvl; 3r8d; 4j5w; 4j5x; 4ny9; 4s0s; 4s0t; 4x1f; 4x1g; 4xao; 4xhd; 5a86

Target, Subunit, Species

Nuclear receptor subfamily 1 group I member 2 [human]

Target Mutant/Chimera Details

Nuclear receptor subfamily 1 group I member 2 [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Transactivation assay

Cells/Cell Lines

Hep G2

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

0.0500000 mg/L

Measurement Parameter

Fold-increase

Qualitative value

Measurement pX

Vrzal, Radim; Kubesova, Katerina; Pavek, Petr; Dvorak, Zdenek; Toxicology Letters; vol. 193; nb. 2; (2010); p. 183 - 188, View in Reaxys 181 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

investigation of biotransformation in rats liver in vitro

Measurement Parameter

qualitative

Blume; Arzneimittel-Forschung/Drug Research; vol. 30; nb. 9; (1980); p. 1566 - 1571, View in Reaxys

102/198

2018-05-24 05:26:41

182 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

effects on sleep quality, morning vigilance and psychomotor performance (healthy volunteers, man and woman, 10 mg p.o.)

Measurement Parameter

qualitative

Hindmarch; Clyde; Arzneimittel-Forschung/Drug Research; vol. 30; nb. 7; (1980); p. 1163 - 1166, View in Reaxys 183 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

effect on subjective aspects of sleep and objective measure of arousal and performance the morning following noctural medication in dose 5 mg on human

Measurement Parameter

qualitative

Hindmarch; Parrott; Arzneimittel-Forschung/Drug Research; vol. 30; nb. 7; (1980); p. 1167 - 1170, View in Reaxys 184 of 476

185 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

taurine cattle

Organs/Tissues

frontal cortex

Cells/Cell Lines

cells

Cell Fraction

Membrane

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Measurement Parameter

IC50

Unit

µM

Quantitative value

0.038

Deviation

0.00200000

Measurement pX

7.42

Concomitants: Compound RN

754371; 702691

Concomitants: Compound name

Diazepam; [3H]-Flunitrazepam

Concomitants: Compound role

NSB; RAD

Bioassay Category

Metabolism/Transport

Bioassay Name

Binding

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

103/198

2018-05-24 05:26:41

Substance Dosing Regimen

Single

Measurement Parameter

tmax

Unit

minute

Quantitative value

40.5

Deviation

5.10000

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 186 of 476

Bioassay Category

Metabolism/Transport

Bioassay Name

Binding

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

85.4

Deviation

6.50000

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 187 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

tmax

Unit

minute

Quantitative value

72.3

Deviation

8.20000

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 188 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

104/198

2018-05-24 05:26:41

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

64.7

Deviation

6.60000

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 189 of 476

Bioassay Category

Metabolism/Transport

Bioassay Name

Binding

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

tmax

Unit

minute

Quantitative value

39.8

Deviation

3.80000

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 190 of 476

Bioassay Category

Metabolism/Transport

Bioassay Name

Binding

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

68.6

Deviation

5.20000

105/198

2018-05-24 05:26:41

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 191 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

tmax

Unit

minute

Quantitative value

49.5

Deviation

8.60000

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 192 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

61.4

Deviation

8.90000

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 193 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

106/198

2018-05-24 05:26:41

Substance Dosing Regimen

Single

Measurement Parameter

tmax

Unit

minute

Quantitative value

44.5

Deviation

7.20000

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 194 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Cmax

Unit

ng/mL

Quantitative value

80.1

Deviation

11.9000

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 195 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

30.6

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 196 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Healthy

107/198

2018-05-24 05:26:41

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Vd (0-inf)

Unit

L/kg

Quantitative value

2.02

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 197 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL (0-inf)

Unit

mL/min

Quantitative value

46.6

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 198 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

27.7

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 199 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

108/198

2018-05-24 05:26:41

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Vd (0-inf)

Unit

L/kg

Quantitative value

2.25

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 200 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL (0-inf)

Unit

mL/min

Quantitative value

58.2

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 201 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

31.2

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys

109/198

2018-05-24 05:26:41

202 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Vd (0-inf)

Unit

L/kg

Quantitative value

2.09

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 203 of 476

Bioassay Category

Pharmacokinetic

Bioassay Name

Pharmacokinetic

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL (0-inf)

Unit

mL/min

Quantitative value

45.6

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 204 of 476

Bioassay Category

Metabolism/Transport

Bioassay Name

Binding

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

29.6

110/198

2018-05-24 05:26:41

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 205 of 476

Bioassay Category

Metabolism/Transport

Bioassay Name

Binding

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

Vd (0-inf)

Unit

L/kg

Quantitative value

2.19

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 206 of 476

Bioassay Category

Metabolism/Transport

Bioassay Name

Binding

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL (0-inf)

Unit

mL/min

Quantitative value

55.8

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 207 of 476

Bioassay Category

Metabolism/Transport

Bioassay Name

Binding

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

t1/2 el

111/198

2018-05-24 05:26:41

Unit

hour

Quantitative value

27.3

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 208 of 476

Bioassay Category

Metabolism/Transport

Bioassay Name

Binding

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

CL (0-inf)

Unit

mL/min

Quantitative value

59.3

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 209 of 476

Bioassay Category

Metabolism/Transport

Bioassay Name

Binding

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

fu (unbound fraction)

Quantitative value

0.135

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 210 of 476

Bioassay Category

Metabolism/Transport

Bioassay Name

Binding

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

112/198

2018-05-24 05:26:41

Measurement Parameter

fu (unbound fraction)

Quantitative value

0.124

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 211 of 476

Bioassay Category

Metabolism/Transport

Bioassay Name

Binding

Biological Species/NCBI ID

human

Population State

Healthy

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

fu (unbound fraction)

Quantitative value

0.124

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 212 of 476

Bioassay Category

Metabolism/Transport

Bioassay Name

Binding

Biological Species/NCBI ID

human

Population State

Non Smoker

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

5 mg

Substance Route of Adm.

oral administration

Substance Dosing Regimen

Single

Measurement Parameter

fu (unbound fraction)

Quantitative value

0.114

Jochemsen; Van Der Graaff; Boeijinga; Breimer; British Journal of Clinical Pharmacology; vol. 13; nb. 3; (1982); p. 319 324, View in Reaxys 213 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : formula Ia metabolite formation; effect onTarget : liver cytosol of humanBioassay : Inhibition Studies with AKR Competitors Inhibition studies were also conducted using some of the AKR competitors listed in Table 2.; Note that AKR1C2/3 inhibitor 5beta-cholanic acid 3alpha, 7-alphadiol, a bile acid displayed IC50s of 0.21 um and 74.4 uM for AKR1C2 and AKR1C3, respectively, using tibolone

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

title compound at 50&micro;M inhibited metabolism of 14C-radiolabelled compound of Formula Ia by 24%

Measurement Parameter

qualitative

Patent; Ghosal, Anima; Kishnani, Narendra S.; Alton, Kevin B.; White, Ronald E.; US2006/276404; (2006); (A1) English, View in Reaxys

113/198

2018-05-24 05:26:41

214 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

hemolytic effect on rabbit erythrocytes in vitro (125-500 mg/l), influence on blood coagulation in rabbits (25 mg/kg p.o.)

Measurement Parameter

qualitative

Kushiku; Morishita; Furukawa; Kitagawa; Ueno; Kohei; Arzneimittel-Forschung/Drug Research; vol. 36; nb. 3 A; (1986); p. 552 - 559, View in Reaxys 215 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

effects on smooth muscle of rabbit, guinea pig (0.1-10 mg/l), dog (0.01-1 mg/kg i.v.), rat (0.1-10 mg/l; 10 mg/kg i.v.); on intestinal transport, digestive system, gastric secretion, bile secretion in mice and rats; interaction with drugs

Measurement Parameter

qualitative

Ueno; Kitagawa; Kohei; Furukawa; Kushiku; Arzneimittel-Forschung/Drug Research; vol. 36; nb. 3 A; (1986); p. 560 - 567, View in Reaxys 216 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

effects of oral long-term administration on motocoordination and locomotion (2*10 mg/kg/d)

Measurement Parameter

qualitative

Stockhaus; Arzneimittel-Forschung/Drug Research; vol. 36; nb. 3 A; (1986); p. 601 - 605, View in Reaxys 217 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

effect of cumulative concentrations on peripheral neuromuscular function (in-vitro rat phrenic nerve-hemidiaphragm preparation)

Measurement Parameter

qualitative

Driessen; Vree; Booij; et al.; Journal of Pharmacy and Pharmacology; vol. 36; nb. 4; (1984); p. 244 - 247, View in Reaxys 218 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

inhibition concentration of 3H-adenosine uptake of endothelial cells: IC20: 5 μmol/l, IC50: 27 μmol/l

Measurement Parameter

qualitative

Melzig; Pharmazie; vol. 46; nb. 8; (1991); p. 610 - 611, View in Reaxys 219 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

114/198

2018-05-24 05:26:41

Bioassay Details

Effect : exposureBioassay : accordance between data sources, reliability 1136 subjects age >65 years: 318 cases (hip fractures), 818 control; 276 men (mean age 79 years), 860 women (81); data sources: patient questionnaire, medical records, plasma samples (HPLC)

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Route of Adm.

oral administration

Qualitative Results

concordance between questionnaires or medical records and plasma samples (table)

Measurement Parameter

qualitative

Moore; Pierfitte; Pehourcq; Lagnaoui; Begaud; Clinical Pharmacology and Therapeutics; vol. 69; nb. 6; (2001); p. 445 - 450, View in Reaxys 220 of 476

221 of 476

Target Name

GABA-A receptor [Rattus norvegicus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Rattus norvegicus]

Target Mutant/Chimera Details

GABA-A receptor [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

Wistar rat

Organs/Tissues

forebrain

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Measurement Parameter

Ki (inhibition constant)

Unit

Quantitative value

Measurement pX

7.72

Concomitants: Compound RN

754371; 754371

Concomitants: Compound name

Diazepam; [3H]-Diazepam

Concomitants: Compound role

NSB; RAD

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

effect on human plasma protein binding of digoxin at 1 and 3 μg ml-1 (in-vitro)

Measurement Parameter

qualitative

Castillo Ferrando; Carrasco Prieto; De La Torre Brasas; Journal of Pharmacy and Pharmacology; vol. 35; nb. 7; (1983); p. 462 - 463, View in Reaxys 222 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

115/198

2018-05-24 05:26:41

Bioassay Details

Effect : |pharmacokinetics Bioassay : blood-plasma conc. ratio (RBP); unbound fraction of test comp. in serum; test comp. conc. in plasma and urine determ. by GC adult rabbits weighing ca. 2.1 kg; femoral artery cannul. with polyethylene tubing, urinary catheter placed in bladder; steady state; total body clearance (CLtotal) and renal clearance (CLurine); conc. of test comp. in plasma; pharmacokinet. model

Biological Species/NCBI ID

Leporidae

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

unbound fraction of test comp. in serum: 0.17; RBP: 0.72; total clearance: 9.25 ml/min*kg; renal clearance 0.312 ml/min*kg; mean values

Measurement Parameter

qualitative

Ishizaki, Junko; Yokogawa, Koichi; Nakashima, Emi; Ichimura, Fujio; Journal of Pharmacy and Pharmacology; vol. 49; nb. 8; (1997); p. 768 - 772, View in Reaxys 223 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

effect on urine output, ascorbate excretion, liverweight, bodyweight, hepatic protein concentrations and hepatic enzyme activities (rats, orally)

Measurement Parameter

qualitative

Down; Hawkins; Chasseaud; Journal of Pharmacy and Pharmacology; vol. 34; nb. 7; (1982); p. 434 - 437, View in Reaxys 224 of 476

225 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

human

Organs/Tissues

brain cortex

Cell Fraction

Cytoplasmic membrane

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Measurement Parameter

Ki (inhibition constant)

Unit

Quantitative value

10.9

Measurement pX

7.96

Concomitants: Compound RN

702691; 702691

Concomitants: Compound name

Flunitrazepam; [3H]-Flunitrazepam

Concomitants: Compound role

NSB; RAD

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

human

Organs/Tissues

brain cortex

Cell Fraction

Cytoplasmic membrane

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

116/198

2018-05-24 05:26:41

226 of 476

227 of 476

Measurement Parameter

nH (Hill coefficient)

Quantitative value

0.787

Deviation

0.159000

Concomitants: Compound RN

702691; 702691

Concomitants: Compound name

Flunitrazepam; [3H]-Flunitrazepam

Concomitants: Compound role

NSB; RAD

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

Rattus norvegicus

Organs/Tissues

brain

Cell Fraction

Synaptosome: membrane (P2 fraction)

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Measurement Parameter

IC50

Unit

Quantitative value

23.3

Deviation

Measurement pX

7.63

Concomitants: Compound RN

754371; 4763661

Concomitants: Compound name

Diazepam; [3H]-Ro 15-1788

Concomitants: Compound role

NSB; RAD

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

Rattus norvegicus

Organs/Tissues

brain

Cell Fraction

Synaptosome: membrane (P2 fraction)

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Measurement Parameter

IC50

Unit

Quantitative value

Deviation

0.800000

Measurement pX

7.82

Concomitants: Compound RN

754371; 4763661; 906818

Concomitants: Compound name

Diazepam; [3H]-Ro 15-1788; GABA

Concomitants: Compound role

NSB; RAD; COM

117/198

2018-05-24 05:26:41

228 of 476

229 of 476

230 of 476

231 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

human

Organs/Tissues

frontal cortex

Cell Fraction

Homogenate

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Measurement Parameter

Ki (inhibition constant)

Unit

Quantitative value

9.2

Deviation

0.800000

Measurement pX

8.04

Concomitants: Compound RN

754371; 754371

Concomitants: Compound name

Diazepam; [3H]-Diazepam

Concomitants: Compound role

NSB; RAD

Substance Effect

Anticonvulsant

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Measurement Parameter

ED50

Unit

µmol/kg

Quantitative value

2.5

Concomitants: Compound RN

135492

Concomitants: Compound name

Pentetrazole

Concomitants: Compound role

IAV

Substance Effect

Anxiolytic

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Measurement Parameter

ED50

Unit

µmol/kg

Quantitative value

17.8

Bioassay Category

Metabolism/Transport

118/198

2018-05-24 05:26:41

Bioassay Name

Binding

Biological Species/NCBI ID

human

Organs/Tissues

blood

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Measurement Parameter

blood/plasma ratio

Quantitative value

Paixao, Paulo; Gouveia, Luis F.; Morais, Jose A.G.; European Journal of Pharmaceutical Sciences; vol. 36; nb. 4-5; (2009); p. 544 - 554, View in Reaxys 232 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

no effect on the response to GABA (field-stimulated guinea-pig vas deferens preparation; dose: 1E-5 M)

Measurement Parameter

qualitative

Doble; Turnbull; Journal of Pharmacy and Pharmacology; vol. 33; nb. 4; (1981); p. 267 - 268, View in Reaxys 233 of 476

Substance Effect

Antifungal

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : fungicidalExample C Lettuce exampleLettuce plots of the iceberg variety "Caru" (Lactuca sativa L.) were established in field conditions with 3 replicates and full randomization design. Plots consisted in 4 rows of 5 m length planted within 1.0 m intervals following the farmers practice.Fungicide treatments were

Biological Species/NCBI ID

Sclerotinia minor

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

disease reduction (%) = 19.6 at 5 kg/ha applied 5 times, respectively

Measurement Parameter

qualitative

Target Name

GABA-A receptor [taurine cattle]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [taurine cattle]

Target Mutant/Chimera Details

GABA-A receptor [taurine cattle]:Wild

Target Species (Bioactivity)

taurine cattle

Target Transfection

Non Transfected

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

Binding

Biological Species/NCBI ID

taurine cattle

Organs/Tissues

brain cortex

119/198

2018-05-24 05:26:41

235 of 476

Cell Fraction

Membrane

Substance RN

757185View in Reaxys

Substance Name

Measurement Parameter

IC50

Unit

Quantitative value

Measurement pX

7.8

Concomitants: Compound RN

757185

Concomitants: Compound name

[3H]-Nitrazepam

Concomitants: Compound role

RAD

Bioassay Category

In Vivo (Animal models)

Bioassay Name

In vivo Measurement

Bioassay Details

Effect : |pharmacokinetics Bioassay : adult rabbits weighing ca. 2.1 kg; femoral artery cannulated with polyethylene tubing; blood samples colect.; GC-NPDD anal. of plasma; pharmacokinetic model

Biological Species/NCBI ID

Leporidae

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

3.20000 mg/kg

Substance Route of Adm.

intravenous administration

Qualitative Results

conc. of test comp. in blood plasma ca. 100 ng/ml in 600 min

Measurement Parameter

qualitative

Ishizaki, Junko; Yokogawa, Koichi; Nakashima, Emi; Ichimura, Fujio; Journal of Pharmacy and Pharmacology; vol. 49; nb. 8; (1997); p. 762 - 767, View in Reaxys 236 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : tissue:plasma partition coefficient |pharmacokinetics Bioassay : the model assumed a homogenous distribution and passive diffusion of title comp. in tissues and based on the ratio of solubility (SR) and macromolecular binding between tissue and plasma; SR estimated from title comp. oil:water partition coeff. physiologically based pharmacokinetic model; two mechanistic equations were developed to predict a priori title comp. tissue:plasma partition coefficient (Pt,p) of non-adipose and non-excretory tissues; regression anal.

Biological Species/NCBI ID

Leporidae

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

predicted Pt,p for muscle, bone, brain, heart, intestine, skin, and lung: 2,8, 1.7, 5.1, 2.9, 2.9, 2.1, and 2.0, vs. experimental values (published data): 1.7, 1.2, 1.4, 2.2, 1.6, and 1.8, resp.

Measurement Parameter

qualitative

Poulin, Patrick; Theil, Frank-Peter; Journal of Pharmaceutical Sciences; vol. 89; nb. 1; (2000); p. 16 - 35, View in Reaxys 237 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : Pat:p |transport Target : Wistar rat plasmaBioassay : phosphate buffer (PB; pH 7.4); subcutaneous white adipose tissue homogenate (ATH) were prepared from male Wistar rats (ca. 250 g) by sonication twice for 30 s; adipose tissue-plasma partition coefficient (Pat:p) in vitro; two-cham-

120/198

2018-05-24 05:26:41

ber dialysis technique; chambers contained rat plasma diluted 1:10 with PB and ATH, resp.; title comp. was added to the plasma side; equilibration at 37 deg C for at least 5 h; liquid scintillation counting Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

1 g/L

Qualitative Results

Pat:p = 2.6

Measurement Parameter

qualitative

Poulin, Patrick; Schoenlein, Kerstin; Theil, Frank-Peter; Journal of Pharmaceutical Sciences; vol. 90; nb. 4; (2001); p. 436 447, View in Reaxys 238 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Bioassay Details

Effect : Pvo:p |transport Target : Wistar rat plasmaBioassay : phosphate buffer (PB; pH 7.4); rat plasma was obtained from Wistar rats (ca. 250 g); olive oil-plasma partition coefficient (Pvo:p) in vitro; two-chamber dialysis technique; chambers contained rat plasma (pH 7.4-8) and olive oil, resp.; title comp. was added to both sides; equilibration at 37 deg C; liquid scintillation counting

Substance RN

757185View in Reaxys

Substance Name

89443

Substance Dose

1 g/L

Qualitative Results

Pvo:p = 3.6

Measurement Parameter

qualitative

Poulin, Patrick; Schoenlein, Kerstin; Theil, Frank-Peter; Journal of Pharmaceutical Sciences; vol. 90; nb. 4; (2001); p. 436 447, View in Reaxys 239 of 476

Target Name

Multidrug resistance protein 1 [human]

Target Synonyms

abcb1; atp-binding cassette sub-family b member 1; mdr1; multidrug resistance protein 1; p-glycoprotein 1; pgy1

Target Uniprot ID

p08183

Target, Subunit, Species

Multidrug resistance protein 1 [human]

Target Mutant/Chimera Details

Multidrug resistance protein 1 [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Substrate

Bioassay Category

Metabolism/Transport

Bioassay Name

Flux transport

Cells/Cell Lines

MDCK-MDR1 cell line

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

10 µM

Measurement Parameter

Papp (A-B)

Unit

nm/s

Quantitative value

389

Deviation

89.9000

Concomitants: Compound RN

506008

121/198

2018-05-24 05:26:41

240 of 476

241 of 476

Concomitants: Compound name

DMSO

Concomitants: Compound role

COM

Target Name

Multidrug resistance protein 1 [human]

Target Synonyms

abcb1; atp-binding cassette sub-family b member 1; mdr1; multidrug resistance protein 1; p-glycoprotein 1; pgy1

Target Uniprot ID

p08183

Target, Subunit, Species

Multidrug resistance protein 1 [human]

Target Mutant/Chimera Details

Multidrug resistance protein 1 [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Substrate

Bioassay Category

Metabolism/Transport

Bioassay Name

Flux transport

Cells/Cell Lines

MDCK-MDR1 cell line

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

10 µM

Measurement Parameter

Papp (B-A)

Unit

nm/s

Quantitative value

456

Deviation

93.1000

Concomitants: Compound RN

506008

Concomitants: Compound name

DMSO

Concomitants: Compound role

COM

Target Name

Multidrug resistance protein 1 [human]

Target Synonyms

abcb1; atp-binding cassette sub-family b member 1; mdr1; multidrug resistance protein 1; p-glycoprotein 1; pgy1

Target Uniprot ID

p08183

Target, Subunit, Species

Multidrug resistance protein 1 [human]

Target Mutant/Chimera Details

Multidrug resistance protein 1 [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Substrate

Bioassay Category

Metabolism/Transport

Bioassay Name

Flux transport

Cells/Cell Lines

MDCK-MDR1 cell line

Substance RN

757185View in Reaxys

122/198

2018-05-24 05:26:41

242 of 476

243 of 476

Substance Name

Nitrazepam

Substance Dose

10 µM

Measurement Parameter

transport ratio (BA/AB)

Quantitative value

1.17

Concomitants: Compound RN

506008

Concomitants: Compound name

DMSO

Concomitants: Compound role

COM

Target Name

Multidrug resistance protein 1 [human]

Target Synonyms

abcb1; atp-binding cassette sub-family b member 1; mdr1; multidrug resistance protein 1; p-glycoprotein 1; pgy1

Target Uniprot ID

p08183

Target, Subunit, Species

Multidrug resistance protein 1 [human]

Target Mutant/Chimera Details

Multidrug resistance protein 1 [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Substrate

Bioassay Category

Metabolism/Transport

Bioassay Name

Flux transport

Cells/Cell Lines

MDCK-MDR1 cell line

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

10 µM

Measurement Parameter

Papp (B-A)

Unit

nm/s

Quantitative value

456

Concomitants: Compound RN

506008

Concomitants: Compound name

DMSO

Concomitants: Compound role

COM

Target Name

Multidrug resistance protein 1 [human]

Target Synonyms

abcb1; atp-binding cassette sub-family b member 1; mdr1; multidrug resistance protein 1; p-glycoprotein 1; pgy1

Target Uniprot ID

p08183

Target, Subunit, Species

Multidrug resistance protein 1 [human]

Target Mutant/Chimera Details

Multidrug resistance protein 1 [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

123/198

2018-05-24 05:26:41

244 of 476

245 of 476

Substance Action on Target

Substrate

Bioassay Category

Metabolism/Transport

Bioassay Name

Flux transport

Cells/Cell Lines

MDCK-MDR1 cell line

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

10 µM

Measurement Parameter

transport ratio (BA/AB)

Quantitative value

1.17

Concomitants: Compound RN

506008

Concomitants: Compound name

DMSO

Concomitants: Compound role

COM

Target Name

Multidrug resistance protein 1 [human]

Target Synonyms

abcb1; atp-binding cassette sub-family b member 1; mdr1; multidrug resistance protein 1; p-glycoprotein 1; pgy1

Target Uniprot ID

p08183

Target, Subunit, Species

Multidrug resistance protein 1 [human]

Target Mutant/Chimera Details

Multidrug resistance protein 1 [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Substrate

Bioassay Category

Metabolism/Transport

Bioassay Name

Flux transport

Cells/Cell Lines

MDCK-MDR1 cell line

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

10 µM

Measurement Parameter

Papp (B-A)

Unit

nm/s

Quantitative value

526

Deviation

Concomitants: Compound RN

7324887; 506008

Concomitants: Compound name

Elacridar; DMSO

Concomitants: Compound role

AGO; COM

Target Name

Multidrug resistance protein 1 [human]

Target Synonyms

abcb1; atp-binding cassette sub-family b member 1; mdr1; multidrug resistance protein 1; p-glycoprotein 1; pgy1

124/198

2018-05-24 05:26:41

246 of 476

Target Uniprot ID

p08183

Target, Subunit, Species

Multidrug resistance protein 1 [human]

Target Mutant/Chimera Details

Multidrug resistance protein 1 [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Substrate

Bioassay Category

Metabolism/Transport

Bioassay Name

Flux transport

Cells/Cell Lines

MDCK-MDR1 cell line

Substance RN

757185View in Reaxys

Substance Name

Nitrazepam

Substance Dose

10 µM

Measurement Parameter

transport ratio (BA/AB)

Quantitative value

0.95

Concomitants: Compound RN

7324887; 506008

Concomitants: Compound name

Elacridar; DMSO

Concomitants: Compound role

AGO; COM

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

cardiovascular effects itself (5 mg/kg i.p.) and in combination with ethanol (2 g/kg p. o. ethanol, 5 mg/kg i. p. the drug) (rats)

Measurement Parameter

qualitative

Zackova; Kvetina; Nemec; Nemcova; Pharmazie; vol. 37; nb. 12; (1982); p. 853 - 856, View in Reaxys 247 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Name

In Vitro (others)

Substance RN

757185View in Reaxys

Substance Name

89443

Qualitative Results

impairement of motor coordination - ED 50: 2.1 mg/kg p.o., induce of muscle relaxation - ED 50: 0.7 mg/kg p.o., 1.5 h, female mice

Measurement Parameter

qualitative

Chambon; Perio; Demarne; et al.; Arzneimittel-Forschung/Drug Research; vol. 35; nb. 10; (1985); p. 1572 - 1577, View in Reaxys 248 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Compound administered intraperitoneally was tested for ability to interact with amphetamine in mice, studied in standard photocell activity cages

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

125/198

2018-05-24 05:26:41

Measurement Parameter

ED50

Unit

mg/kg

Measurement Object

Interaction with amphetamine

Qualitative value

Quantitative value

Ott; Hardtmann; Denzer; Frey; Gogerty; Leslie; Trapold; Journal of medicinal chemistry; vol. 11; nb. 4; (1968); p. 777 787, View in Reaxys 249 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Ability of compound to modify the aggressive behaviour in mice produced by dihydroxyphenylalanine administered intraperitoneally at a dose of 25 mg/kg; Negative

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Qualitative Results

Negative

Ott; Hardtmann; Denzer; Frey; Gogerty; Leslie; Trapold; Journal of medicinal chemistry; vol. 11; nb. 4; (1968); p. 777 787, View in Reaxys 250 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Anticonvulsant activity of the compound was assessed in a maximal electroshock seizure test in mice

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Measurement Parameter

ED50

Unit

mg/kg

Measurement Object

Anticonvulsant activity

Qualitative value

Quantitative value

Ott; Hardtmann; Denzer; Frey; Gogerty; Leslie; Trapold; Journal of medicinal chemistry; vol. 11; nb. 4; (1968); p. 777 787, View in Reaxys 251 of 476

Substance Action on Target

Antagonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Anticonvulsant activity of compound was assessed from the ability to antagonise strychnine activity in mice

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

4.5

Ott; Hardtmann; Denzer; Frey; Gogerty; Leslie; Trapold; Journal of medicinal chemistry; vol. 11; nb. 4; (1968); p. 777 787, View in Reaxys 252 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent control of AZT- azidoreductase activity in human liver microsomes at concentration of 1 mM

Biological Species/NCBI ID

human

126/198

2018-05-24 05:26:41

Substance RN

757185View in Reaxys

Measurement Parameter

Activity

Unit

Measurement Object

Percent control of AZT- azidoreductase activity

Qualitative value

Quantitative value

123

Fayz, Shirin; Inaba; Antimicrobial Agents and Chemotherapy; vol. 42; nb. 7; (1998); p. 1654 - 1658, View in Reaxys 253 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Compound administered intraperitoneally was tested for ability to produce neurologic deficit in mice using rotorod method

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

Activity

Unit

mg/kg

Measurement Object

Changed

Qualitative value

Quantitative value

0.9

Ott; Hardtmann; Denzer; Frey; Gogerty; Leslie; Trapold; Journal of medicinal chemistry; vol. 11; nb. 4; (1968); p. 777 787, View in Reaxys 254 of 476

Target Name

Azido Reductase [human]

Target Synonyms

azido reductase

Target, Subunit, Species

Azido Reductase [human]

Target Mutant/Chimera Details

Azido Reductase [human]:Wild

Target Species (Bioactivity)

human

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent control of 3'-azido-3'-deoxythymidine azido reductase activity in human liver microsomes at concentration of 1 mM

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Measurement Parameter

Activity

Unit

Qualitative value

Quantitative value

123

Fayz, Shirin; Inaba; Antimicrobial Agents and Chemotherapy; vol. 42; nb. 7; (1998); p. 1654 - 1658, View in Reaxys 255 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Ability of compound (25 mg/Kg), administered intraperitoneally, to modify the aggressive behaviour in mice produced by dihydroxyphenylalanine; Negative

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

127/198

2018-05-24 05:26:41

Measurement Parameter

qualitative

Qualitative value

Not Published

Ott; Hardtmann; Denzer; Frey; Gogerty; Leslie; Trapold; Journal of medicinal chemistry; vol. 11; nb. 4; (1968); p. 777 787, View in Reaxys 256 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Dose administered intravenously required to produce 50 depression of flexor reflex in chloraloseanesthetized cats

Biological Species/NCBI ID

domestic cat

Substance RN

757185View in Reaxys

Substance Route of Adm.

intravenous administration

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

0.04

Ott; Hardtmann; Denzer; Frey; Gogerty; Leslie; Trapold; Journal of medicinal chemistry; vol. 11; nb. 4; (1968); p. 777 787, View in Reaxys 257 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Time of reinduction of anesthesia in mice recovering from hexobarbital anesthesia (70 mg/kg iv), after immediate intraperitoneal administration of compound

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

Activity

Unit

mg/kg

Measurement Object

RD50

Qualitative value

Quantitative value

0.83

Ott; Hardtmann; Denzer; Frey; Gogerty; Leslie; Trapold; Journal of medicinal chemistry; vol. 11; nb. 4; (1968); p. 777 787, View in Reaxys 258 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Time of reinduction of anesthesia in mice recovering from hexobarbital anesthesia (70 mg/Kg iv) , after immediate intraperitoneal administration of compound

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

Activity

Unit

mg/kg

Measurement Object

RD50

Qualitative value

Quantitative value

0.83

Ott; Hardtmann; Denzer; Frey; Gogerty; Leslie; Trapold; Journal of medicinal chemistry; vol. 11; nb. 4; (1968); p. 777 787, View in Reaxys 259 of 476

Bioassay Category

In Vivo (Animal models)

128/198

2018-05-24 05:26:41

Bioassay Details

Dose administered intravenously required to produce 50 depression of flexor reflex in chloraloseanesthetized cat

Biological Species/NCBI ID

domestic cat

Substance RN

757185View in Reaxys

Substance Route of Adm.

intravenous administration

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

0.04

Ott; Hardtmann; Denzer; Frey; Gogerty; Leslie; Trapold; Journal of medicinal chemistry; vol. 11; nb. 4; (1968); p. 777 787, View in Reaxys 260 of 476

261 of 476

262 of 476

Target Name

Peripheral-type benzodiazepine receptor-associated protein 1

Target Synonyms

bzrap1; kiaa0612; pbr-ip; peripheral benzodiazepine receptor-interacting protein; peripheral-type benzodiazepine receptor-associated protein 1; prax-1; rbp1; rim-bp1; rimbp1; rims-binding protein 1; tspo-associated protein 1; tspoap1

Target, Subunit, Species

Peripheral-type benzodiazepine receptor-associated protein 1

Target Mutant/Chimera Details

Peripheral-type benzodiazepine receptor-associated protein 1:Wild

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Binding affinity of the compound towards benzodiazepine/GABA A receptor

Substance RN

757185View in Reaxys

Measurement Parameter

pIC50

Quantitative value

-1

Target Name

Peripheral-type benzodiazepine receptor-associated protein 1

Target Synonyms

Target, Subunit, Species

Peripheral-type benzodiazepine receptor-associated protein 1

Target Mutant/Chimera Details

Peripheral-type benzodiazepine receptor-associated protein 1:Wild

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Binding affinity of the compound towards benzodiazepine/GABA A receptor

Substance RN

757185View in Reaxys

Measurement Parameter

pIC50

Quantitative value

Measurement pX

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Anticonvulsant activity of compound was assessed from the ability to antagonise N-sulfamoylazepine activity in mice

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Measurement Parameter

ED50

129/198

2018-05-24 05:26:41

Unit

mg/kg

Measurement Object

Ability to antagonise N-sulfamoylazepine activity

Qualitative value

Quantitative value

Ott; Hardtmann; Denzer; Frey; Gogerty; Leslie; Trapold; Journal of medicinal chemistry; vol. 11; nb. 4; (1968); p. 777 787, View in Reaxys 263 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Compound was tested for the ability to produce neurologic deficit in mice administered intraperitoneally using rotarod method

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

Activity

Unit

mg/kg

Measurement Object

ND50

Qualitative value

Quantitative value

0.9

Ott; Hardtmann; Denzer; Frey; Gogerty; Leslie; Trapold; Journal of medicinal chemistry; vol. 11; nb. 4; (1968); p. 777 787, View in Reaxys 264 of 476

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose of compound was detrmined upon intraperitoneal administration in mice

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

LD50

Unit

mg/kg

Qualitative value

Quantitative value

733

Ott; Hardtmann; Denzer; Frey; Gogerty; Leslie; Trapold; Journal of medicinal chemistry; vol. 11; nb. 4; (1968); p. 777 787, View in Reaxys 265 of 476

Target Name

Myeloperoxidase [Mus musculus]

Target Synonyms

mpo; myeloperoxidase

Target Uniprot ID

p11247

Target, Subunit, Species

Myeloperoxidase [Mus musculus]

Target Mutant/Chimera Details

Myeloperoxidase [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effect of the compound on myeloperoxidase activity from mouse ear (4 h after TPA administration) upon incubation at 37 degree C for 5 min by colorimetric assay was expressed as optical density/ biopsy

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

130/198

2018-05-24 05:26:41

Qualitative Results

ENZYME ACTIVITY not calculated

Measurement Parameter

qualitative

Measurement Object

ENZYME ACTIVITY

Sandra, Cortez-Maya; Eduardo, Cortes Cortes; Simon, Hernandez-Ortega; Teresa, Ramirez Apan; Antonio, Nieto Camacho; Lijanova, Irina V.; Marcos, Martinez-Garcia; Anti-Cancer Agents in Medicinal Chemistry; vol. 12; nb. 6; (2012); p. 611 - 618, View in Reaxys 266 of 476

Substance Effect

Antiproliferative

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro percent inhibition on growth of Human chronic myelogenous leukemia K562 cell line at 50 uM compound (dissolved in DMSO) concentration upon incubation for 37 degree C for 5 days by sulforhodamine B (SRB) method

Cells/Cell Lines

K-562 cell line

Substance RN

757185View in Reaxys

Measurement Parameter

% Inhibition

Unit

Measurement Object

Growth inhibition

Qualitative value

Quantitative value

22.3

Substance Effect

Antiproliferative

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro inhibitory concentration of the compound (dissolved in DMSO) against growth of Human colorectal adenocarcinoma HCT-15 cell line upon incubation for 37 degree C for 5 days by sulforhodamine B (SRB) method

Cells/Cell Lines

HCT 15 cell line

Substance RN

757185View in Reaxys

Measurement Parameter

IC50

Unit

µM

Measurement Object

Growth inhibition

Qualitative value

Quantitative value

40.3

Deviation

1.6

Measurement pX

4.39

Substance Effect

Antiproliferative

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro percent inhibition on growth of Human breast cancer MCF7 cell line at 50 uM compound (dissolved in DMSO) concentration upon incubation for 37 degree C for 5 days by sulforhodamine B (SRB) method

Cells/Cell Lines

MCF7

Substance RN

757185View in Reaxys

Measurement Parameter

% Inhibition

Unit

131/198

2018-05-24 05:26:41

Measurement Object

Growth inhibition

Qualitative value

Quantitative value

35.2

270 of 476

Target Name

Lysine-specific demethylase 4C [human]

Target Synonyms

gasc-1 protein; gasc1; gene amplified in squamous cell carcinoma 1 protein; jhdm3c; jmjc domaincontaining histone demethylation protein 3c; jmjd2c; jumonji domain-containing protein 2c; kdm4c; kiaa0780; lysine-specific demethylase 4c

Target Uniprot ID

q9h3r0

Target PDB ID

2xdp; 2xml; 4xdo; 4xdp; 5fjh; 5fjk; 5kr7

Target, Subunit, Species

Lysine-specific demethylase 4C [human]

Target Mutant/Chimera Details

Lysine-specific demethylase 4C [human]:Wild

Target Species (Bioactivity)

human

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of the compound against formaldehyde dehydrogenase (FDH) coupled catalytic core domain of human JMJD2C (histone lysine demethylase KDM4C) using 50 uM ARKMe3STGGK peptide substrate in presence of 1 mM NAD+ upon incubation for 30 min in 50 mM HEPES, pH 7.5

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Measurement Parameter

IC50

Unit

µM

Qualitative value

Quantitative value

200

Measurement pX

Concomitants: Compound name

ARKME3STGGK PEPTIDE; NAD+

Concomitants: Compound role

SUB; COM

Substance Effect

Antiproliferative

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro percent inhibition on growth of Human lung adenocarcinoma SKLU1 cell line at 50 uM compound (dissolved in DMSO) concentration upon incubation for 37 degree C for 5 days by sulforhodamine B (SRB) method

Cells/Cell Lines

SK-LU-1 cell line

Substance RN

757185View in Reaxys

Measurement Parameter

% Inhibition

Unit

Measurement Object

Growth inhibition

Qualitative value

Quantitative value

40.2

132/198

2018-05-24 05:26:41

271 of 476

Substance Effect

Antiproliferative

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro percent inhibition on growth of Human prostate cancer PC-3 cell line at 50 uM compound (dissolved in DMSO) concentration upon incubation for 37 degree C for 5 days by sulforhodamine B (SRB) method

Cells/Cell Lines

PC-3

Substance RN

757185View in Reaxys

Measurement Parameter

% Inhibition

Unit

Measurement Object

Growth inhibition

Qualitative value

Quantitative value

40.72

Substance Effect

Antiproliferative

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro inhibitory concentration of the compound (dissolved in DMSO) against growth of Human prostate cancer PC-3 cell line upon incubation for 37 degree C for 5 days by sulforhodamine B (SRB) method

Cells/Cell Lines

PC-3

Substance RN

757185View in Reaxys

Measurement Parameter

IC50

Unit

µM

Measurement Object

Growth inhibition

Qualitative value

Quantitative value

34.7

Deviation

0.3

Measurement pX

4.46

Substance Effect

Antiproliferative

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

In vitro inhibitory concentration of the compound (dissolved in DMSO) against growth of Human normal Fibroblasts NIH-3T3 cell line upon incubation for 37 degree C for 5 days by sulforhodamine B (SRB) method

Cells/Cell Lines

NIH-3T3

Substance RN

757185View in Reaxys

Measurement Parameter

IC50

Unit

µM

Measurement Object

IC50

Quantitative value

16.6

Measurement pX

4.78

133/198

2018-05-24 05:26:41

274 of 476

275 of 476

Target Name

Lysine-specific demethylase 4C [human]

Target Synonyms

Target Uniprot ID

q9h3r0

Target PDB ID

2xdp; 2xml; 4xdo; 4xdp; 5fjh; 5fjk; 5kr7

Target, Subunit, Species

Lysine-specific demethylase 4C [human]

Target Mutant/Chimera Details

Lysine-specific demethylase 4C [human]:Wild

Target Species (Bioactivity)

human

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Maximum velocity of of the compound towards formaldehyde dehydrogenase (FDH) coupled catalytic core domain of human JMJD2C (histone lysine demethylase KDM4C) using 50 uM ARKMe3STGGK peptide in presence of 1 mM NAD+ upon incubation for 30 min in 50 mM HEPES, pH 7.5

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

Activity UOM is not given

Concomitants: Compound name

ARKME3STGGK PEPTIDE; NAD+

Concomitants: Compound role

SUB; COM

Target Name

Lysine-specific demethylase 4C [human]

Target Synonyms

Target Uniprot ID

q9h3r0

Target PDB ID

2xdp; 2xml; 4xdo; 4xdp; 5fjh; 5fjk; 5kr7

Target, Subunit, Species

Lysine-specific demethylase 4C [human]

Target Mutant/Chimera Details

Lysine-specific demethylase 4C [human]:Wild

Target Species (Bioactivity)

human

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory constant of the compound against formaldehyde dehydrogenase (FDH) coupled catalytic core domain of human JMJD2C (histone lysine demethylase KDM4C) using 50 uM ARKMe3STGGK peptide substrate in presence of 1 mM NAD+ upon incubation for 30 min in 50 mM HEPES, pH 7.5

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Measurement Parameter

Ki (inhibition constant)

Unit

µM

Qualitative value

Quantitative value

200

Measurement pX

Concomitants: Compound name

ARKME3STGGK PEPTIDE; NAD+

134/198

2018-05-24 05:26:41

276 of 476

Concomitants: Compound role

SUB; COM

Substance Effect

Antiinflammatory

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent inhibition of 2.5 ug TPA (topically)-induced ear edema in CD-1 male mouse (n = 4) upon topical administration at dose of 1 umol/ear was measured as anti-inflammatory activity

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

topical administration

Measurement Parameter

% Inhibition

Unit

Measurement Object

12-O-Tetradecanoylphorbol-13-Acetate (Tpa)-Induced Ear Edema

Qualitative value

Quantitative value

78.3

Concomitants: Compound name

TPA

Concomitants: Compound role

COM

Substance Effect

Antiproliferative

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro inhibitory concentration of the compound (dissolved in DMSO) against growth of Human lung adenocarcinoma SKLU1 cell line upon incubation for 37 degree C for 5 days by sulforhodamine B (SRB) method

Cells/Cell Lines

SK-LU-1 cell line

Substance RN

757185View in Reaxys

Measurement Parameter

IC50

Unit

µM

Measurement Object

Growth inhibition

Qualitative value

Quantitative value

34.7

Deviation

1.6

Measurement pX

4.46

Target Name

Myeloperoxidase [Mus musculus]

Target Synonyms

mpo; myeloperoxidase

Target Uniprot ID

p11247

Target, Subunit, Species

Myeloperoxidase [Mus musculus]

Target Mutant/Chimera Details

Myeloperoxidase [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Bioassay Category

In Vitro (Efficacy)

135/198

2018-05-24 05:26:41

Bioassay Details

Percent inhibtion of myeloperoxidase activity from mouse ear (4 h after TPA administration) upon incubation with compound at 37 degree C for 5 min by colorimetric assay

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Measurement Parameter

% Inhibition

Unit

Measurement Object

MYELOPEROXIDASE LEVELS

Qualitative value

Quantitative value

68.2

280 of 476

Target Name

Lysine-specific demethylase 4C [human]

Target Synonyms

Target Uniprot ID

q9h3r0

Target PDB ID

2xdp; 2xml; 4xdo; 4xdp; 5fjh; 5fjk; 5kr7

Target, Subunit, Species

Lysine-specific demethylase 4C [human]

Target Mutant/Chimera Details

Lysine-specific demethylase 4C [human]:Wild

Target Species (Bioactivity)

human

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Michaelis menten constant of the compound against formaldehyde dehydrogenase (FDH) coupled catalytic core domain of human JMJD2C (histone lysine demethylase KDM4C) using 50 uM ARKMe3STGGK peptide substrate in presence of 1 mM NAD+ upon incubation for 30 min in 50 mM HEPES, pH 7.5

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

Activity UOM is not given

Measurement Parameter

qualitative

Measurement Object

Concomitants: Compound name

ARKME3STGGK PEPTIDE; NAD+

Concomitants: Compound role

SUB; COM

Substance Effect

Antiinflammatory

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Effect of the compound on change in weight of ear in 2.5 ug TPA (topically)-induced ear edema in CD-1 male mouse (n = 4) upon topical administration at a dose of 1 umol/ear was determined; Control (TPA) = 12.9+/-1.0 mg

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

topical administration

Measurement Parameter

Weight

136/198

2018-05-24 05:26:41

Unit

Measurement Object

Change in weight

Qualitative value

Quantitative value

2.8

Deviation

0.5

Concomitants: Compound name

TPA

Concomitants: Compound role

COM

Substance Effect

Antiproliferative

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro percent inhibition on growth of Human colorectal adenocarcinoma HCT-15 cell line at 50 uM compound (dissolved in DMSO) concentration upon incubation for 37 degree C for 5 days by sulforhodamine B (SRB) method

Cells/Cell Lines

HCT 15 cell line

Substance RN

757185View in Reaxys

Measurement Parameter

% Inhibition

Unit

Measurement Object

Growth inhibition

Qualitative value

Quantitative value

20.6

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Toxic activity of compound in mice upon oral administration was determined

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

LD50

Unit

mg/kg

Qualitative value

Quantitative value

825

Esteki, Mahnaz; Khayamian, Taghi; Chemical Biology and Drug Design; vol. 72; nb. 5; (2008); p. 409 - 435, View in Reaxys 283 of 476

Target Name

Fatty acid-binding protein, intestinal [Rattus norvegicus]

Target Synonyms

fabp2; fabpi; fatty acid-binding protein 2; fatty acid-binding protein, intestinal; i-fabp; intestinaltype fatty acid-binding protein

Target Uniprot ID

p02693

Target PDB ID

1a57; 1ael; 1dc9; 1icm; 1icn; 1ifb; 1ifc; 1sa8; 1t8v; 1ure; 2ifb; 3akn

Target, Subunit, Species

Fatty acid-binding protein, intestinal [Rattus norvegicus]

Target Mutant/Chimera Details

Fatty acid-binding protein, intestinal [Rattus norvegicus]:Wild

137/198

2018-05-24 05:26:41

284 of 476

285 of 476

Target Species (Bioactivity)

Rattus norvegicus

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

BINDING AFFINITY OF THE COMPOUND TOWARDS RAT INTESTINAL FATTY ACIDBINDING PROTEIN BY DISPLACEMENT OF 1-ANILINO-8-NAPHTHALENE SULFONIC ACID IN 50 MM TRIS.HCL, PH 8.0

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Measurement Parameter

Ki (inhibition constant)

Unit

µM

Qualitative value

Quantitative value

2300

Deviation

Measurement pX

2.64

Target Name

Fatty acid-binding protein, intestinal [Rattus norvegicus]

Target Synonyms

fabp2; fabpi; fatty acid-binding protein 2; fatty acid-binding protein, intestinal; i-fabp; intestinaltype fatty acid-binding protein

Target Uniprot ID

p02693

Target PDB ID

1a57; 1ael; 1dc9; 1icm; 1icn; 1ifb; 1ifc; 1sa8; 1t8v; 1ure; 2ifb; 3akn

Target, Subunit, Species

Fatty acid-binding protein, intestinal [Rattus norvegicus]

Target Mutant/Chimera Details

Fatty acid-binding protein, intestinal [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Binding affinity of the compound towards rat intestinal fatty acid-binding protein by displacement of 1-anilino-8-naphthalene sulfonic acid in 20 mM Tris.HCl, pH 8.0

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Measurement Parameter

Ki (inhibition constant)

Unit

µM

Qualitative value

Quantitative value

2000

Deviation

Measurement pX

2.7

Target Name

Peripheral-type benzodiazepine receptor-associated protein 1

Target Synonyms

Target, Subunit, Species

Peripheral-type benzodiazepine receptor-associated protein 1

Target Mutant/Chimera Details

Peripheral-type benzodiazepine receptor-associated protein 1:Wild

138/198

2018-05-24 05:26:41

286 of 476

287 of 476

288 of 476

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Binding affinity of the compound towards benzodiazepine receptor

Substance RN

757185View in Reaxys

Measurement Parameter

qualitative

Qualitative value

Not Published

Target Name

Peripheral-type benzodiazepine receptor-associated protein 1

Target Synonyms

Target, Subunit, Species

Peripheral-type benzodiazepine receptor-associated protein 1

Target Mutant/Chimera Details

Peripheral-type benzodiazepine receptor-associated protein 1:Wild

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Binding affinity of compound towards benzodiazepine receptor in a competition assay

Substance RN

757185View in Reaxys

Measurement Parameter

pIC50

Quantitative value

Measurement pX

Target Name

Gamma-aminobutyric acid receptor subunit delta;+Gamma-aminobutyric acid receptor subunit beta-2;+Gamma-aminobutyric acid receptor subunit alpha-1

Target Synonyms

gaba(a) receptor subunit delta; gabrd; gamma-aminobutyric acid receptor subunit delta + gaba(a) receptor subunit beta-2; gabrb-2; gabrb2; gamma-aminobutyric acid receptor subunit beta-2 + gaba(a) receptor subunit alpha-1; gabra-1; gabra1; gamma-aminobutyric acid receptor subunit alpha-1

Target, Subunit, Species

Gamma-aminobutyric acid receptor subunit alpha-1; Gamma-aminobutyric acid receptor subunit beta-2; Gamma-aminobutyric acid receptor subunit delta

Target Mutant/Chimera Details

Gamma-aminobutyric acid receptor subunit delta:Wild + Gamma-aminobutyric acid receptor subunit beta-2:Wild + Gamma-aminobutyric acid receptor subunit alpha-1:Wild

Substance Action on Target

Radioligand (/ligand)

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Binding affinity of compound against gamma-aminobutyric acid A-benzodiazepine receptor was determined using competition assay against diazepam

Substance RN

757185View in Reaxys

Measurement Parameter

pIC50

Quantitative value

-1

Bioassay Category

Metabolism/Transport

Bioassay Details

Fraction of compound escaping intestinal elimination in human upon oral administration was determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Qualitative Results

Activity UOM not mentioned

Measurement Parameter

Fg (intestinal availability)

139/198

2018-05-24 05:26:41

Unit

Measurement Object

elimination

Quantitative value

1.04

Varma, Manthena V. S.; Obach, R. Scott; Rotter, Charles; Miller, Howard R.; Chang, George; Steyn, Stefanus J.; ElKattan, Ayman; Troutman, Matthew D.; Journal of Medicinal Chemistry; vol. 53; nb. 3; (2010); p. 1098 - 1108, View in Reaxys 289 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Hepatic clearance of compound in human upon oral administration was determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Qualitative Results

Activity UOM not mentioned

Measurement Object

Hepatic clearance

Bioassay Category

Pharmacokinetic

Bioassay Details

Renal clearance of compound in human upon oral administration was determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Qualitative Results

Activity UOM not mentioned

Measurement Object

Renal Clearance

Bioassay Category

Pharmacokinetic

Bioassay Details

Steady state volume of distribution of compound in human upon oral administration was determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

Vdss

Unit

L/kg

Measurement Object

Steady state volume of distribution

Qualitative value

Quantitative value

1.7

Bioassay Category

Pharmacokinetic

Bioassay Details

Total body clearance of compound in human upon oral administration was determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

140/198

2018-05-24 05:26:41

Substance Route of Adm.

oral administration

Qualitative Results

Activity UOM not mentioned

Measurement Object

Total body clearance

Bioassay Category

Metabolism/Transport

Bioassay Details

Fraction of compound escaping hepatic elimination in human upon oral administration was determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Qualitative Results

Activity UOM not mentioned

Measurement Parameter

Fh (hepatic availability)

Unit

Measurement Object

Quantitative value

0.96

Bioassay Category

Metabolism/Transport

Bioassay Details

Fraction of compound absorbed in human upon oral administration was determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Qualitative Results

Activity UOM not mentioned

Measurement Parameter

Fa (fraction absorbed)

Unit

Measurement Object

Fraction of compound absorbed

Quantitative value

0.78

Bioassay Category

Pharmacokinetic

Bioassay Details

Bioavailability of compound in human upon oral administration was determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Qualitative Results

Activity UOM not mentioned

Measurement Parameter

F (drug bioavailability)

Unit

Measurement Object

Bioavailability

Quantitative value

0.78

141/198

2018-05-24 05:26:41

Bioassay Category

Metabolism/Transport

Bioassay Details

Plasma unbound fraction of compound in human upon oral administration was determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Qualitative Results

Activity UOM not mentioned

Measurement Parameter

fu (unbound fraction)

Measurement Object

Plasma unbound fraction

Quantitative value

0.13

Bioassay Category

Metabolism/Transport

Bioassay Details

Distribution coefficient of the compound at PH 7.4 (LOG D7.4)

Substance RN

757185View in Reaxys

Measurement Parameter

qualitative

Qualitative value

Not Published

Benet, Leslie Z.; Broccatelli, Fabio; Oprea, Tudor I.; AAPS Journal; vol. 13; nb. 4; (2011); p. 519 - 547, View in Reaxys 298 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Percent excretion of unchanged compound in urine of human upon oral administration of 1.6 dose

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

percentage of dose excreted in urine

Unit

Measurement Object

AMOUNT OF UNCHANGED DRUG EXCRETED

Qualitative value

Quantitative value

0.5

Benet, Leslie Z.; Broccatelli, Fabio; Oprea, Tudor I.; AAPS Journal; vol. 13; nb. 4; (2011); p. 519 - 547, View in Reaxys 299 of 476

Target Name

Aldo-keto reductase family 1 member C1 [human]

Target Synonyms

20-alpha-hsd; 20-alpha-hydroxysteroid dehydrogenase; akr1c1; aldo-keto reductase family 1 member c1; chlordecone reductase homolog hakrc; dd1/dd2; ddh; ddh1; dihydrodiol dehydrogenase 1/2; hbab; high-affinity hepatic bile acid-binding protein; indanol dehydrogenase; trans-1,2-dihydrobenzene-1,2-diol dehydrogenase

Target Uniprot ID

q04828

Target PDB ID

1mrq; 3c3u; 3gug; 3nty; 4yvp

Target, Subunit, Species

Aldo-keto reductase family 1 member C1 [human]

Target Mutant/Chimera Details

Aldo-keto reductase family 1 member C1 [human]:Wild

Target Species (Bioactivity)

human

142/198

2018-05-24 05:26:41

300 of 476

301 of 476

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of the compound against human AKR1C1 isoenzyme upon incubation in 0.1 M Potassium phosphate buffer, pH 7.4 at 25 degree C

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Measurement Parameter

IC50

Unit

µM

Qualitative value

Quantitative value

Measurement pX

4.68

Target Name

Aldo-keto reductase family 1 member C2 [human]

Target Synonyms

3-alpha-hsd3; akr1c2; aldo-keto reductase family 1 member c2; chlordecone reductase homolog hakrd; dd-2; dd/babp; dd2; ddh2; dihydrodiol dehydrogenase 2; dihydrodiol dehydrogenase/bile acid-binding protein; trans-1,2-dihydrobenzene-1,2-diol dehydrogenase; type iii 3-alpha-hydroxysteroid dehydrogenase

Target Uniprot ID

p52895

Target PDB ID

1ihi; 1j96; 1xjb; 2hdj; 2ipj; 4jq1; 4jq2; 4jq3; 4jq4; 4jqa; 4jtq; 4jtr; 4l1w; 4l1x; 4xo6; 4xo7

Target, Subunit, Species

Aldo-keto reductase family 1 member C2 [human]

Target Mutant/Chimera Details

Aldo-keto reductase family 1 member C2 [human]:Wild

Target Species (Bioactivity)

human

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibition constant Kii (intercept effect) of the compound towards human AKR1C2 isoenzyme upon incubation in 0.1 M Potassium phosphate buffer, pH 7.4 at 25 degree C

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Measurement Parameter

Kiu

Unit

µM

Qualitative value

Quantitative value

Measurement pX

4.04

Target Name

Aldo-keto reductase family 1 member C1 [human]

Target Synonyms

Target Uniprot ID

q04828

Target PDB ID

1mrq; 3c3u; 3gug; 3nty; 4yvp

Target, Subunit, Species

Aldo-keto reductase family 1 member C1 [human]

Target Mutant/Chimera Details

Aldo-keto reductase family 1 member C1 [human]:Wild

143/198

2018-05-24 05:26:41

302 of 476

303 of 476

Target Species (Bioactivity)

human

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibition constant (intercept effect) of the compound towards human AKR1C1 isoenzyme upon incubation in 0.1 M Potassium phosphate buffer, pH 7.4 at 25 degree C

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Measurement Parameter

Kiu

Unit

µM

Qualitative value

Quantitative value

Measurement pX

4.44

Target Name

Aldo-keto reductase family 1 member C2 [human]

Target Synonyms

Target Uniprot ID

p52895

Target PDB ID

1ihi; 1j96; 1xjb; 2hdj; 2ipj; 4jq1; 4jq2; 4jq3; 4jq4; 4jqa; 4jtq; 4jtr; 4l1w; 4l1x; 4xo6; 4xo7

Target, Subunit, Species

Aldo-keto reductase family 1 member C2 [human]

Target Mutant/Chimera Details

Aldo-keto reductase family 1 member C2 [human]:Wild

Target Species (Bioactivity)

human

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of the compound against human AKR1C2 isoenzyme upon incubation in 0.1 M Potassium phosphate buffer, pH 7.4 at 25 degree C

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Measurement Parameter

IC50

Unit

µM

Qualitative value

Quantitative value

Measurement pX

4.23

Target Name

Aldo-keto reductase family 1 member C4 [human]

Target Synonyms

3-alpha-hsd1; 3-alpha-hydroxysteroid dehydrogenase type i; akr1c4; aldo-keto reductase family 1 member c4; cdr; chdr; chlordecone reductase; dd-4; dd4; dihydrodiol dehydrogenase 4; hakra

Target Uniprot ID

p17516

Target PDB ID

2fvl

Target, Subunit, Species

Aldo-keto reductase family 1 member C4 [human]

Target Mutant/Chimera Details

Aldo-keto reductase family 1 member C4 [human]:Wild

144/198

2018-05-24 05:26:41

304 of 476

Target Species (Bioactivity)

human

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of the compound against human AKR1C4 isoenzyme upon incubation in 0.1 M Potassium phosphate buffer, pH 7.4 at 25 degree C

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Measurement Parameter

IC50

Unit

µM

Qualitative value

Quantitative value

Measurement pX

Target Name

Aldo-keto reductase family 1 member C4 [human]; Aldo-keto reductase family 1 member C3 [human]; Aldo-keto reductase family 1 member C2 [human]; Aldo-keto reductase family 1 member C1 [human]

Target Synonyms

3-alpha-hsd1; 3-alpha-hydroxysteroid dehydrogenase type i; akr1c4; aldo-keto reductase family 1 member c4; cdr; chdr; chlordecone reductase; dd-4; dd4; dihydrodiol dehydrogenase 4; hakra + 17beta-hsd 5; 17-beta-hydroxysteroid dehydrogenase type 5; 3-alpha-hsd type 2; 3-alpha-hsd type ii, brain; 3-alpha-hydroxysteroid dehydrogenase type 2; akr1c3; aldo-keto reductase family 1 member c3; chlordecone reductase homolog hakrb; dd-3; dd3; ddh1; dihydrodiol dehydrogenase 3; dihydrodiol dehydrogenase type i; ha1753; hsd17b5; indanol dehydrogenase; kiaa0119; pgfs; prostaglandin f synthase; testosterone 17-beta-dehydrogenase 5; trans-1,2-dihydrobenzene-1,2-diol dehydrogenase + 3-alpha-hsd3; akr1c2; aldo-keto reductase family 1 member c2; chlordecone reductase homolog hakrd; dd-2; dd/babp; dd2; ddh2; dihydrodiol dehydrogenase 2; dihydrodiol dehydrogenase/bile acid-binding protein; trans-1,2-dihydrobenzene-1,2-diol dehydrogenase; type iii 3-alpha-hydroxysteroid dehydrogenase + 20-alpha-hsd; 20-alpha-hydroxysteroid dehydrogenase; akr1c1; aldo-keto reductase family 1 member c1; chlordecone reductase homolog hakrc; dd1/dd2; ddh; ddh1; dihydrodiol dehydrogenase 1/2; hbab; high-affinity hepatic bile acid-binding protein; indanol dehydrogenase; trans-1,2-dihydrobenzene-1,2-diol dehydrogenase

Target Uniprot ID

p17516 + p42330 + p52895 + q04828

Target PDB ID

2fvl + 1ry0; 1ry8; 1s1p; 1s1r; 1s2a; 1s2c; 1xf0; 1zq5; 2f38; 2fgb; 3r43; 3r58; 3r6i; 3r7m; 3r8g; 3r8h; 3r94; 3ufy; 3ug8; 3ugr; 3uwe; 4dbs; 4dbu; 4dbw; 4dz5; 4fa3; 4fal; 4fam; 4h7c; 4hmn; 4wdt; 4wdu; 4wdw; 4wdx; 4wrh; 4xvd; 4xve; 4yvv; 4yvx; 4zfc; 5hnt; 5hnu; 5jm5 + 1ihi; 1j96; 1xjb; 2hdj; 2ipj; 4jq1; 4jq2; 4jq3; 4jq4; 4jqa; 4jtq; 4jtr; 4l1w; 4l1x; 4xo6; 4xo7 + 1mrq; 3c3u; 3gug; 3nty; 4yvp

Target, Subunit, Species

Aldo-keto reductase family 1 member C4 [human]; Aldo-keto reductase family 1 member C3 [human]; Aldo-keto reductase family 1 member C2 [human]; Aldo-keto reductase family 1 member C1 [human]

Target Mutant/Chimera Details

Aldo-keto reductase family 1 member C4 [human]:Wild; Aldo-keto reductase family 1 member C3 [human]:Wild; Aldo-keto reductase family 1 member C2 [human]:Wild; Aldo-keto reductase family 1 member C1 [human]:Wild

Target Species (Bioactivity)

human; human; human; human

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibition constant Kis (slope effect) of the compound towards human AKR1C1 isoenzyme upon incubation in 0.1 M Potassium phosphate buffer, pH 7.4 at 25 degree C in presence of 0.25 mM NADP

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

145/198

2018-05-24 05:26:41

305 of 476

306 of 476

Measurement Parameter

Kic

Unit

µM

Qualitative value

Quantitative value

Measurement pX

4.96

Target Name

Aldo-keto reductase family 1 member C4 [human]; Aldo-keto reductase family 1 member C3 [human]; Aldo-keto reductase family 1 member C2 [human]; Aldo-keto reductase family 1 member C1 [human]

Target Synonyms

Target Uniprot ID

p17516 + p42330 + p52895 + q04828

Target PDB ID

Target, Subunit, Species

Aldo-keto reductase family 1 member C4 [human]; Aldo-keto reductase family 1 member C3 [human]; Aldo-keto reductase family 1 member C2 [human]; Aldo-keto reductase family 1 member C1 [human]

Target Mutant/Chimera Details

Target Species (Bioactivity)

human; human; human; human

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibition constant Kis (slope effect) of the compound towards human AKR1C1 isoenzyme upon incubation in 0.1 M Potassium phosphate buffer, pH 7.4 at 25 degree C in presence of 0.25 mM NADP

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Measurement Parameter

Kic

Unit

µM

Qualitative value

Quantitative value

Measurement pX

4.57

Target Name

Aldo-keto reductase family 1 member C3 [human]

Target Synonyms

17-beta-hsd 5; 17-beta-hydroxysteroid dehydrogenase type 5; 3-alpha-hsd type 2; 3-alpha-hsd type ii, brain; 3-alpha-hydroxysteroid dehydrogenase type 2; akr1c3; aldo-keto reductase family 1 member c3; chlordecone reductase homolog hakrb; dd-3; dd3; ddh1; dihydrodiol dehydrogenase 3; dihydrodiol dehydrogenase type i; ha1753; hsd17b5; indanol dehydrogenase; kiaa0119; pgfs; prosta-

146/198

2018-05-24 05:26:41

glandin f synthase; testosterone 17-beta-dehydrogenase 5; trans-1,2-dihydrobenzene-1,2-diol dehydrogenase

307 of 476

Target Uniprot ID

p42330

Target PDB ID

1ry0; 1ry8; 1s1p; 1s1r; 1s2a; 1s2c; 1xf0; 1zq5; 2f38; 2fgb; 3r43; 3r58; 3r6i; 3r7m; 3r8g; 3r8h; 3r94; 3ufy; 3ug8; 3ugr; 3uwe; 4dbs; 4dbu; 4dbw; 4dz5; 4fa3; 4fal; 4fam; 4h7c; 4hmn; 4wdt; 4wdu; 4wdw; 4wdx; 4wrh; 4xvd; 4xve; 4yvv; 4yvx; 4zfc; 5hnt; 5hnu; 5jm5

Target, Subunit, Species

Aldo-keto reductase family 1 member C3 [human]

Target Mutant/Chimera Details

Aldo-keto reductase family 1 member C3 [human]:Wild

Target Species (Bioactivity)

human

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of the compound against human AKR1C3 isoenzyme upon incubation in 0.1 M Potassium phosphate buffer, pH 7.4 at 25 degree C

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Measurement Parameter

IC50

Unit

µM

Qualitative value

Quantitative value

Measurement pX

4.16

Bioassay Category

Pharmacokinetic

Bioassay Details

Percent of compound reaching the systemic circulation after oral administration in humans

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

F (drug bioavailability)

Unit

Qualitative value

Quantitative value

Yoshida, Fumitaka; Topliss, John G.; Journal of Medicinal Chemistry; vol. 43; nb. 13; (2000); p. 2575 - 2585, View in Reaxys 308 of 476

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lowest toxic dose of the compound in man upon p.o. administration

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Qualitative Results

Measurement Parameter

TDLo

Unit

mg/kg

Measurement Object

Lowest toxic dose

Quantitative value

Gekkan Yakuji. Pharmaceuticals Monthly.,1996, 38, 2597.; vol. 38; (1996); p. 2597, View in Reaxys 309 of 476

Bioassay Category

In Vitro (Efficacy)

147/198

2018-05-24 05:26:41

Bioassay Details

Tested for anticonvulsant activity by antagonism to N-sulfamoylhexahydroazepine in rats (10 animals/dose were used for intraperitoneal administration)

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

Gogerty; Griot; Habeck; Iorio; Houlihan; Journal of Medicinal Chemistry; vol. 20; nb. 7; (1977); p. 952 - 956, View in Reaxys 310 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Anticonvulsant activity expressed as the dose which prevented convulsions in 50 of the mice tested after subcutaneous administration of 125 mg/kg was measured by metrazole test

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

subcutaneous administration

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

2.74

Blair; Webb; Journal of Medicinal Chemistry; vol. 20; nb. 9; (1977); p. 1206 - 1210, View in Reaxys 311 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Sedation and muscle relaxation effect expressed as dose required to produce relaxation of the body and hind legs when the cats were suspended by the scruff of the neck

Biological Species/NCBI ID

domestic cat

Substance RN

757185View in Reaxys

Measurement Parameter

MED

Unit

mg/kg

Measurement Object

Sedation and muscle relaxation effect

Qualitative value

Quantitative value

3.44

Blair; Webb; Journal of Medicinal Chemistry; vol. 20; nb. 9; (1977); p. 1206 - 1210, View in Reaxys 312 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Tested for neurological deficit in mice in rotarod test, administered ip

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

Activity

Unit

mg/kg

Measurement Object

ND50

Qualitative value

148/198

2018-05-24 05:26:41

Quantitative value

0.5

Gogerty; Griot; Habeck; Iorio; Houlihan; Journal of Medicinal Chemistry; vol. 20; nb. 7; (1977); p. 952 - 956, View in Reaxys 313 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Tested for loss of righting reflex in rats after an intraperitonial dose of the compound

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

1.5

Gogerty; Griot; Habeck; Iorio; Houlihan; Journal of Medicinal Chemistry; vol. 20; nb. 7; (1977); p. 952 - 956, View in Reaxys 314 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Compound was tested orally in mice for the CNS effects of benzodiazepines using inclined screen test

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

Walser; Zenchoff; Fryer; Journal of Medicinal Chemistry; vol. 19; nb. 12; (1976); p. 1378 - 1381, View in Reaxys 315 of 476

Substance Action on Target

Antagonist

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Effective dose of the compound administered orally in mouse for antagonism against pentylenetetrazole

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

0.7

Walser; Zenchoff; Fryer; Journal of Medicinal Chemistry; vol. 19; nb. 12; (1976); p. 1378 - 1381, View in Reaxys 316 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Sedative and muscle relaxant effect expressed as dose which caused three out of six mice to slide off a 70 degree inclined screen

Biological Species/NCBI ID

Mus musculus

149/198

2018-05-24 05:26:41

Substance RN

757185View in Reaxys

Measurement Parameter

ED50

Unit

mg/kg

Measurement Object

Sedative and muscle relaxant effect

Qualitative value

Quantitative value

1.27

Blair; Webb; Journal of Medicinal Chemistry; vol. 20; nb. 9; (1977); p. 1206 - 1210, View in Reaxys 317 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Effective dose of the compound administered orally in mouse for CNS effects using footshock test

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

Walser; Zenchoff; Fryer; Journal of Medicinal Chemistry; vol. 19; nb. 12; (1976); p. 1378 - 1381, View in Reaxys 318 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Compound was tested orally in mice for the CNS effects of benzodiazepines using footshock test

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

Walser; Zenchoff; Fryer; Journal of Medicinal Chemistry; vol. 19; nb. 12; (1976); p. 1378 - 1381, View in Reaxys 319 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Taming activity expressed as dose required to tame pairs of fighting mice, their aggression being stimulated by an electrical current applied to their feet using footshock or fighting mice test

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Measurement Parameter

MED

Unit

mg/kg

Qualitative value

Quantitative value

1.74

Blair; Webb; Journal of Medicinal Chemistry; vol. 20; nb. 9; (1977); p. 1206 - 1210, View in Reaxys 320 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Tested for loss of righting reflex in mice after an intraperitoneal dose of the compound

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

150/198

2018-05-24 05:26:41

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

1.5

Gogerty; Griot; Habeck; Iorio; Houlihan; Journal of Medicinal Chemistry; vol. 20; nb. 7; (1977); p. 952 - 956, View in Reaxys 321 of 476

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Tested for acute toxicity using 4 mice per substance, 2 hours post ip administration

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

LD50

Unit

mg/kg

Qualitative value

Quantitative value

733.4

Gogerty; Griot; Habeck; Iorio; Houlihan; Journal of Medicinal Chemistry; vol. 20; nb. 7; (1977); p. 952 - 956, View in Reaxys 322 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Effective dose of the compound administered orally in mouse for CNS effects using inclined screen test

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

Walser; Zenchoff; Fryer; Journal of Medicinal Chemistry; vol. 19; nb. 12; (1976); p. 1378 - 1381, View in Reaxys 323 of 476

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose of the compound in rat upon intraperitoneal administration

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Qualitative Results

733

Measurement Parameter

LD50

Unit

mg/kg

Quantitative value

733

Gogerty; Griot; Habeck; Iorio; Houlihan; Journal of Medicinal Chemistry; vol. 20; nb. 7; (1977); p. 952 - 956, View in Reaxys 324 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Tested for docility in rats after an intraperitonial dose of the compound (10 animals/ dose)

Biological Species/NCBI ID

Rattus norvegicus

151/198

2018-05-24 05:26:41

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

1.5

Gogerty; Griot; Habeck; Iorio; Houlihan; Journal of Medicinal Chemistry; vol. 20; nb. 7; (1977); p. 952 - 956, View in Reaxys 325 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Tested for ataxia in mice after an intraperitoneal dose of the compound

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

1.5

Gogerty; Griot; Habeck; Iorio; Houlihan; Journal of Medicinal Chemistry; vol. 20; nb. 7; (1977); p. 952 - 956, View in Reaxys 326 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Tested for interaction with amphetamine-induced stimulation of locomotor activity at 1.5 mg/kg ip in mice

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

percentage

Unit

Measurement Object

change

Qualitative value

Quantitative value

Gogerty; Griot; Habeck; Iorio; Houlihan; Journal of Medicinal Chemistry; vol. 20; nb. 7; (1977); p. 952 - 956, View in Reaxys 327 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Tested for reinduction of anesthesia after administration of compound in mice following recovery from hexobarbital anesthesia

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Measurement Parameter

Activity

Unit

mg/kg

Measurement Object

RD50

Qualitative value

Quantitative value

0.8

152/198

2018-05-24 05:26:41

Gogerty; Griot; Habeck; Iorio; Houlihan; Journal of Medicinal Chemistry; vol. 20; nb. 7; (1977); p. 952 - 956, View in Reaxys 328 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Tested for neurological deficit in rats in rotarod test, administered ip

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

Activity

Unit

mg/kg

Measurement Object

ND50

Qualitative value

Quantitative value

0.5

Gogerty; Griot; Habeck; Iorio; Houlihan; Journal of Medicinal Chemistry; vol. 20; nb. 7; (1977); p. 952 - 956, View in Reaxys 329 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Tested for anticonvulsant activity by antagonism to N-sulfamoylhexahydroazepine in mice (10 animals/dose were used for intraperitoneal administration)

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

ED50

Unit

mg/kg

Measurement Object

Anticonvulsant activity

Qualitative value

Quantitative value

Gogerty; Griot; Habeck; Iorio; Houlihan; Journal of Medicinal Chemistry; vol. 20; nb. 7; (1977); p. 952 - 956, View in Reaxys 330 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Tested for reinduction of anesthesia after administration of compound in rats following recovery from hexobarbital anesthesia

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Measurement Parameter

Activity

Unit

mg/kg

Measurement Object

RD50

Qualitative value

Quantitative value

0.8

Gogerty; Griot; Habeck; Iorio; Houlihan; Journal of Medicinal Chemistry; vol. 20; nb. 7; (1977); p. 952 - 956, View in Reaxys 331 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Tested for ataxia in rats after an intraperitonial dose of the compound

Biological Species/NCBI ID

Rattus norvegicus

153/198

2018-05-24 05:26:41

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

1.5

Gogerty; Griot; Habeck; Iorio; Houlihan; Journal of Medicinal Chemistry; vol. 20; nb. 7; (1977); p. 952 - 956, View in Reaxys 332 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Compound was tested orally in mice for the antagonism against pentylenetetrazole

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

0.7

Walser; Zenchoff; Fryer; Journal of Medicinal Chemistry; vol. 19; nb. 12; (1976); p. 1378 - 1381, View in Reaxys 333 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Tested for docility in mice after an intraperitoneal dose of the compound (10 animals/ dose)

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

1.5

Gogerty; Griot; Habeck; Iorio; Houlihan; Journal of Medicinal Chemistry; vol. 20; nb. 7; (1977); p. 952 - 956, View in Reaxys 334 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Tested for interaction with amphetamine-induced stimulation of locomotor activity at 1.5 mg/kg ip

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

percentage

Unit

Measurement Object

change

Qualitative value

Quantitative value

Gogerty; Griot; Habeck; Iorio; Houlihan; Journal of Medicinal Chemistry; vol. 20; nb. 7; (1977); p. 952 - 956, View in Reaxys 335 of 476

Bioassay Category

Pharmacokinetic

154/198

2018-05-24 05:26:41

Bioassay Details

Oral absorption

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Substance Route of Adm.

intravaginal administration

Qualitative Results

Measurement Parameter

Absorption

Unit

Measurement Object

absorption

Quantitative value

Therapeutic Drugs by Colin Dollery, 2nd edition, 1999; vol. 6; (1999), View in Reaxys 336 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Time to reach peak plasma concentration was 0.5-4 h by a single oral dose of 5 mg to 9 subjects

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Qualitative Results

0.5-4

Measurement Parameter

tmax

Unit

hour

Quantitative value

2.25

Clarke's Analysis of Drugs and Poisons, View in Reaxys 337 of 476

Bioassay Category

Metabolism/Transport

Bioassay Details

Plasma clearance was about 1 mL/min/Kg determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

Measurement Parameter

CL (drug clearance)

Unit

mL/min/kg

Quantitative value

Clarke's Analysis of Drugs and Poisons, View in Reaxys 338 of 476

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

The LD50 in animal species is far beyond the psychoactive doses, giving an extremely high therapeutic index

Substance RN

757185View in Reaxys

Measurement Parameter

Toxicity

Qualitative value

Therapeutic Drugs by Colin Dollery, 2nd edition, 1999; vol. 6; (1999), View in Reaxys 339 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Volume of distribution

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

155/198

2018-05-24 05:26:41

Substance Route of Adm.

intravenous administration

Qualitative Results

1.8-4.7

Measurement Parameter

Vd (volume of distribution)

Unit

L/kg

Quantitative value

3.25

Therapeutic Drugs by Colin Dollery, 2nd edition, 1999; vol. 6; (1999), View in Reaxys 340 of 476

Bioassay Category

Metabolism/Transport

Bioassay Details

Plasma half life was 18-38 h (mean 28) determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

18-38

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

Clarke's Analysis of Drugs and Poisons, View in Reaxys 341 of 476

Bioassay Category

Metabolism/Transport

Bioassay Details

Mean Plasma half life (range)

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

20-48

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

Therapeutic Drugs by Colin Dollery, 2nd edition, 1999; vol. 6; (1999), View in Reaxys 342 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

About 50-70 of the dose was excreted in the urine in 120 h determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

50-70

Measurement Parameter

percentage of dose excreted in urine

Unit

Measurement Object

Percent dose excreted in urine

Quantitative value

Clarke's Analysis of Drugs and Poisons, View in Reaxys 343 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Peak plasma conc. in old patients

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

0.022

Measurement Parameter

Cmax

156/198

2018-05-24 05:26:41

Unit

µg/mL

Quantitative value

0.022

Therapeutic Drugs by Colin Dollery, 2nd edition, 1999; vol. 6; (1999), View in Reaxys 344 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

20 of an oral dose was excreted in the faeces

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

Measurement Parameter

percentage of dose excreted in feces

Unit

Measurement Object

Fecal excretion

Quantitative value

Clarke's Analysis of Drugs and Poisons, View in Reaxys 345 of 476

Bioassay Category

Metabolism/Transport

Bioassay Details

Plasma protein binding

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

Measurement Parameter

Protein binding (%)

Unit

Quantitative value

Therapeutic Drugs by Colin Dollery, 2nd edition, 1999; vol. 6; (1999), View in Reaxys 346 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Up to 37 of the dose was excreted in the first 24 h

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

Measurement Parameter

percentage of dose excreted in urine

Unit

Measurement Object

Percent dose excreted

Quantitative value

Clarke's Analysis of Drugs and Poisons, View in Reaxys 347 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Percent of dose excreted unchanged

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Qualitative Results

Measurement Parameter

Excretion

Unit

157/198

2018-05-24 05:26:41

Quantitative value

Therapeutic Drugs by Colin Dollery, 2nd edition, 1999; vol. 6; (1999), View in Reaxys 348 of 476

Bioassay Category

Metabolism/Transport

Bioassay Details

Combined steady state plasma concentration of the 7-amino and 7-acetamido metabolite was 0.018-0.053 mg/L (mean 0.03) by a daily oral dose of 5 mg to 4 subjects

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

0.018-0.053

Measurement Parameter

concentration (parameters)

Unit

µg/mL

Quantitative value

0.03

Clarke's Analysis of Drugs and Poisons, View in Reaxys 349 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

About 90 of dose was excreted in the urine in 120 h after iv administrataion

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

Measurement Parameter

percentage of dose excreted in urine

Unit

Quantitative value

Clarke's Analysis of Drugs and Poisons, View in Reaxys 350 of 476

Bioassay Category

Metabolism/Transport

Bioassay Details

Steady state plasma concentration was 0.035-0.044 mg/L (mean 0.04) were reported by a single oral dose of 5 mg to 4 subjects

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

0.035-0.044

Measurement Parameter

concentration (parameters)

Unit

µg/mL

Quantitative value

0.04

Clarke's Analysis of Drugs and Poisons, View in Reaxys 351 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Bioavailability

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

High

Measurement Parameter

F (drug bioavailability)

Qualitative value

Therapeutic Drugs by Colin Dollery, 2nd edition, 1999; vol. 6; (1999), View in Reaxys 352 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Maximum Plasma conc after oral administrationc reached afer 81 (45-240) min

158/198

2018-05-24 05:26:41

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

0.028-0.045

Measurement Parameter

Cmax

Unit

µg/mL

Quantitative value

0.037

Therapeutic Drugs by Colin Dollery, 2nd edition, 1999; vol. 6; (1999), View in Reaxys 353 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Peak plasma concentration of 0.028-0.045 mg/L (mean 0.040) were reported by a single oral dose of 5 mg to 9 subjects

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

0.028-0.045

Measurement Parameter

Cmax

Unit

µg/mL

Quantitative value

0.04

Clarke's Analysis of Drugs and Poisons, View in Reaxys 354 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

20 of the dose as unknown acidic compounds determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

Measurement Parameter

percentage of dose excreted in urine

Unit

Measurement Object

Percent dose excreted as unknown acidic compounds

Quantitative value

Clarke's Analysis of Drugs and Poisons, View in Reaxys 355 of 476

Bioassay Category

Metabolism/Transport

Bioassay Details

Volume of distribution was about 2-3 L/kg increased in elderly subjects

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

2-3

Measurement Parameter

Vd (volume of distribution)

Unit

L/kg

Quantitative value

2.5

Clarke's Analysis of Drugs and Poisons, View in Reaxys 356 of 476

Bioassay Category

Metabolism/Transport

Bioassay Details

Mean Half life (range) of elimination after intravenous injection

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

159/198

2018-05-24 05:26:41

Qualitative Results

22.9-30.5

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

26.6

Therapeutic Drugs by Colin Dollery, 2nd edition, 1999; vol. 6; (1999), View in Reaxys 357 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Therapeutic concentration in plasma usually in the range of 0.03-0.07 mg/L

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

0.03-0.07

Measurement Parameter

Cmax

Unit

µg/mL

Quantitative value

0.05

Clarke's Analysis of Drugs and Poisons, View in Reaxys 358 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

5 of the dose as 7-aminonitrazepam determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

Measurement Parameter

percentage of dose excreted in urine

Unit

Measurement Object

Percent dose excreted as 7-aminonitrazepam

Quantitative value

Clarke's Analysis of Drugs and Poisons, View in Reaxys 359 of 476

Bioassay Category

Metabolism/Transport

Bioassay Details

Volume of distribution in young patients

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

2.4

Measurement Parameter

Vd (volume of distribution)

Unit

L/kg

Quantitative value

2.4

Therapeutic Drugs by Colin Dollery, 2nd edition, 1999; vol. 6; (1999), View in Reaxys 360 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Up to 20 of the dose was eliminated in the faeces

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

Measurement Parameter

percentage of dose excreted in feces

Unit

160/198

2018-05-24 05:26:41

Measurement Object

Fecal excretion

Quantitative value

Clarke's Analysis of Drugs and Poisons, View in Reaxys 361 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

5 of the dose as conjugated 2-amino-3-hydroxy-5-nitrobenzophenone determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

Measurement Parameter

percentage of dose excreted in urine

Unit

Quantitative value

Clarke's Analysis of Drugs and Poisons, View in Reaxys 362 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Percent of oral dose found in feces

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Qualitative Results

Measurement Parameter

percentage of dose excreted in feces

Unit

Measurement Object

Fecal excretion

Quantitative value

Therapeutic Drugs by Colin Dollery, 2nd edition, 1999; vol. 6; (1999), View in Reaxys 363 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

5-10 of the dose as free 7-acetamidonitrazepam determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

5-10

Measurement Parameter

percentage of dose excreted in urine

Unit

Measurement Object

Percent dose excreted as free 7-acetamidonitrazepam

Quantitative value

7.5

Clarke's Analysis of Drugs and Poisons, View in Reaxys 364 of 476

Bioassay Category

Metabolism/Transport

Bioassay Details

Volume of distribution in old patients

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

4.8

Measurement Parameter

Vd (volume of distribution)

Unit

L/kg

161/198

2018-05-24 05:26:41

Quantitative value

4.8

Therapeutic Drugs by Colin Dollery, 2nd edition, 1999; vol. 6; (1999), View in Reaxys 365 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

10 was eliminated in the faeces

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

Measurement Parameter

percentage of dose excreted in urine

Unit

Quantitative value

Clarke's Analysis of Drugs and Poisons, View in Reaxys 366 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Peak plasma conc. in young patients

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

0.040

Measurement Parameter

Cmax

Unit

µg/mL

Quantitative value

0.04

Therapeutic Drugs by Colin Dollery, 2nd edition, 1999; vol. 6; (1999), View in Reaxys 367 of 476

Bioassay Category

Metabolism/Transport

Bioassay Details

Mean Half life (range) of elimination after oral administration

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

20-48

Measurement Parameter

t1/2 el

Unit

hour

Quantitative value

30.7

Therapeutic Drugs by Colin Dollery, 2nd edition, 1999; vol. 6; (1999), View in Reaxys 368 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Less than 4 was excreted as unchanged nitrazepam after oral administration

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

Measurement Parameter

percentage of dose excreted in urine

Unit

Quantitative value

Clarke's Analysis of Drugs and Poisons, View in Reaxys 369 of 476

Bioassay Category

Metabolism/Transport

Bioassay Details

In plasma protein binding was 85-88 determined

162/198

2018-05-24 05:26:41

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

85-88

Measurement Parameter

Protein binding (%)

Unit

Quantitative value

86.5

Clarke's Analysis of Drugs and Poisons, View in Reaxys 370 of 476

Target Name

Platelet-activating factor receptor

Target Synonyms

paf receptor; paf-r; pafr; platelet activating factor receptor; platelet activating factor receptor activity; platelet-activating factor receptor; ptafr

Target, Subunit, Species

Platelet-activating factor receptor

Target Mutant/Chimera Details

Platelet-activating factor receptor:Wild

Substance Action on Target

Antagonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Antagonistic activity towards platelet activating factor receptor

Substance RN

757185View in Reaxys

Measurement Parameter

qualitative

Qualitative value

Not Published

Patent; Casals-Stenzel, Jorge, Dr.; Weber, Karl-Heinz, Dr.; Walther, Gerhard, Dr.; Harreus, Albrecht, Dr; Muacevic, Gojki, Dr.; EP176928; (A2); (1986), View in Reaxys 371 of 476

Substance Action on Target

Inhibitor

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Inhibitory concentration against PAF-induced bronchoconstriction in guinea pig upon treatment at 1 to ~50 mg/kg (p.o.) or 0.1 - 1.0 mg/kg (i.v.) after 1 hour of intravenous infusion with PAF

Biological Species/NCBI ID

guinea pig

Substance RN

757185View in Reaxys

Measurement Parameter

IC50

Unit

µM

Measurement Object

Inhibition of PAF-induced bronchoconstriction in guinea pig

Qualitative value

Quantitative value

220

Measurement pX

3.66

Patent; Casals-Stenzel, Jorge, Dr.; Weber, Karl-Heinz, Dr.; Walther, Gerhard, Dr.; Harreus, Albrecht, Dr; Muacevic, Gojki, Dr.; EP176928; (A2); (1986), View in Reaxys 372 of 476

Target Name

Peripheral-type benzodiazepine receptor-associated protein 1

Target Synonyms

Target, Subunit, Species

Peripheral-type benzodiazepine receptor-associated protein 1

Target Mutant/Chimera Details

Peripheral-type benzodiazepine receptor-associated protein 1:Wild

Bioassay Category

In Vitro (Efficacy)

163/198

2018-05-24 05:26:41

373 of 476

374 of 476

Bioassay Details

Activity of the compound against Benzodiazepine receptor

Substance RN

757185View in Reaxys

Measurement Parameter

qualitative

Qualitative value

Not Published

Target Name

Peripheral-type benzodiazepine receptor-associated protein 1 [taurine cattle]

Target Synonyms

peripheral-type benzodiazepine receptor-associated protein 1

Target, Subunit, Species

Peripheral-type benzodiazepine receptor-associated protein 1 [taurine cattle]

Target Mutant/Chimera Details

Peripheral-type benzodiazepine receptor-associated protein 1 [taurine cattle]:Wild

Target Species (Bioactivity)

taurine cattle

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro inhibitory concentration of compound against benzodiazepine receptor in cow cerebral cortex membranes using [3H]flunitrazepam as radioligand

Biological Species/NCBI ID

taurine cattle

Substance RN

757185View in Reaxys

Measurement Parameter

IC50

Unit

µM

Qualitative value

Quantitative value

0.0012

Deviation

0.0001

Measurement pX

8.92

Concomitants: Compound name

[3H]FLUNITRAZEPAM

Concomitants: Compound role

RAD

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

ED50 value was reported as log1/C, which is the concentration that caused fourfold increase of lever pressing in 50 of rats for the punished schedule; no data

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Qualitative Results

no data

Measurement Parameter

pEC50

Qualitative value

Biagi; Barbaro; Guerra; Babbini; Gaiardi; Bartoletti; Borea; Journal of medicinal chemistry; vol. 23; nb. 2; (1980); p. 193 201, View in Reaxys 375 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

ED50 value was reported as log1/C, which is the concentration that caused fourfold increase of lever pressing in 50 of rats for the punished schedule; ND means no data

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Qualitative Results

Measurement Parameter

pIC50

Measurement Object

increase of lever pressing in rats

164/198

2018-05-24 05:26:41

Qualitative value

Biagi; Barbaro; Guerra; Babbini; Gaiardi; Bartoletti; Borea; Journal of medicinal chemistry; vol. 23; nb. 2; (1980); p. 193 201, View in Reaxys 376 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Muscle relaxation activity of the compound was measured by using the rotarod performance test in mice by oral administration.

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

ED50

Unit

mg/kg

Measurement Object

Muscle relaxation

Qualitative value

Quantitative value

4.25

Hirai; Ishiba; Sugimoto; Fujishita; Tsukinoki; Hirose; Journal of Medicinal Chemistry; vol. 24; nb. 1; (1981); p. 20 - 27, View in Reaxys 377 of 476

Bioassay Category

Metabolism/Transport

Bioassay Details

Partition Coefficient of the compound was determined

Substance RN

757185View in Reaxys

Measurement Parameter

qualitative

Measurement Object

Partition coefficient

Qualitative value

Not Published

Dimitra Hadjipavlou-Litina; Corwin Hansch; Chemical reviews; vol. 94; nb. 6; (1994); p. 1483 - 1505, View in Reaxys 378 of 476

Bioassay Category

Metabolism/Transport

Bioassay Details

Partition Coefficient of the compound was determined

Substance RN

757185View in Reaxys

Measurement Parameter

qualitative

Measurement Object

Partition coefficient

Qualitative value

Not Published

Dimitra Hadjipavlou-Litina; Corwin Hansch; Chemical reviews; vol. 94; nb. 6; (1994); p. 1483 - 1505, View in Reaxys 379 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Anticonvulsant activity of the compound was determined by anti-pentylenetetrazole test in mice

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Measurement Parameter

pEC50

Quantitative value

5.6

Measurement pX

5.6

S.P.Gupta; Chemical reviews; vol. 89; nb. 8; (1989); p. 1765 - 1800, View in Reaxys 380 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Anticonvulsant activity of compound was evaluated using anti-pentylenetetrazole test in mouse

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

165/198

2018-05-24 05:26:41

Measurement Parameter

pIC50

Quantitative value

2.75

Measurement pX

2.75

Dimitra Hadjipavlou-Litina; Corwin Hansch; Chemical reviews; vol. 94; nb. 6; (1994); p. 1483 - 1505, View in Reaxys 381 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Anticonvulsant activity of the compound was determined by antielectroshock (maximal) test in mice

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Measurement Parameter

pEC50

Quantitative value

3.97

Measurement pX

3.97

S.P.Gupta; Chemical reviews; vol. 89; nb. 8; (1989); p. 1765 - 1800, View in Reaxys 382 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Anticonvulsant activity of the compound was determined by anti-pentylenetetrazole test in mice

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Measurement Parameter

pIC50

Quantitative value

5.6

Measurement pX

5.6

S.P.Gupta; Chemical reviews; vol. 89; nb. 8; (1989); p. 1765 - 1800, View in Reaxys 383 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Compound was tested for antagonism of pentylenetetrazole-induced convulsion in mice by oral administration.

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

0.23

Hirai; Ishiba; Sugimoto; Fujishita; Tsukinoki; Hirose; Journal of Medicinal Chemistry; vol. 24; nb. 1; (1981); p. 20 - 27, View in Reaxys 384 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

ED50 value was reported as log1/C, which is the concentration required to reduce locomotor activity by 50 in rats after intraperitonial administration

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

pIC50

Measurement Object

Concentration required to reduce locomotor activity by 50% in rats

Quantitative value

2.326

166/198

2018-05-24 05:26:41

Measurement pX

2.33

Biagi; Barbaro; Guerra; Babbini; Gaiardi; Bartoletti; Borea; Journal of medicinal chemistry; vol. 23; nb. 2; (1980); p. 193 201, View in Reaxys 385 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

ED50 value was reported as log1/C, which is the concentration that would decrease to a half the lever pressing in 50 of rats for the nonpunished schedule; no data

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Qualitative Results

no data

Measurement Parameter

pEC50

Qualitative value

Biagi; Barbaro; Guerra; Babbini; Gaiardi; Bartoletti; Borea; Journal of medicinal chemistry; vol. 23; nb. 2; (1980); p. 193 201, View in Reaxys 386 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Compound was evaluated for antagonism of pentylenetetrazole-induced convulsion in mice by oral administration

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

ED50

Unit

mg/kg

Measurement Object

antagonism of pentylenetetrazole-induced convulsion

Qualitative value

Quantitative value

0.23

Hirai; Ishiba; Sugimoto; Fujishita; Tsukinoki; Hirose; Journal of Medicinal Chemistry; vol. 24; nb. 1; (1981); p. 20 - 27, View in Reaxys 387 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Anticonvulsant activity of compound was evaluated using anti-pentylenetetrazole test

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Measurement Parameter

pIC50

Quantitative value

2.75

Measurement pX

2.75

Dimitra Hadjipavlou-Litina; Corwin Hansch; Chemical reviews; vol. 94; nb. 6; (1994); p. 1483 - 1505, View in Reaxys 388 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

ED50 value was reported as log1/C, which is the concentration that would decrease to a half the lever pressing in 50 of rats for the nonpunished schedule; ND means no data

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Qualitative Results

Measurement Parameter

pIC50

Qualitative value

167/198

2018-05-24 05:26:41

Biagi; Barbaro; Guerra; Babbini; Gaiardi; Bartoletti; Borea; Journal of medicinal chemistry; vol. 23; nb. 2; (1980); p. 193 201, View in Reaxys 389 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

ED50 value was reported as log1/C, which is the concentration required to reduce locomotor activity by 50 in rats

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Measurement Parameter

pEC50

Measurement Object

Concentration required to reduce locomotor activity

Quantitative value

2.32

Measurement pX

2.32

Biagi; Barbaro; Guerra; Babbini; Gaiardi; Bartoletti; Borea; Journal of medicinal chemistry; vol. 23; nb. 2; (1980); p. 193 201, View in Reaxys 390 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Anticonvulsant activity of the compound was determined by antielectroshock (maximal) test in mice

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Measurement Parameter

pIC50

Quantitative value

3.97

Measurement pX

3.97

S.P.Gupta; Chemical reviews; vol. 89; nb. 8; (1989); p. 1765 - 1800, View in Reaxys 391 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Anticonvulsant activity of the compound was determined by antielectroshock (minimal) test in mice

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Measurement Parameter

pIC50

Quantitative value

2.9

Measurement pX

2.9

S.P.Gupta; Chemical reviews; vol. 89; nb. 8; (1989); p. 1765 - 1800, View in Reaxys 392 of 476

Target Name

Peripheral-type benzodiazepine receptor-associated protein 1 [taurine cattle]

Target Synonyms

peripheral-type benzodiazepine receptor-associated protein 1

Target, Subunit, Species

Peripheral-type benzodiazepine receptor-associated protein 1 [taurine cattle]

Target Mutant/Chimera Details

Peripheral-type benzodiazepine receptor-associated protein 1 [taurine cattle]:Wild

Target Species (Bioactivity)

taurine cattle

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro percent inhibition of benzodiazepine receptor in cow cerebral cortex membrane by compound at a concentration of 250 uM using [3H]flunitrazepam as radioligand

Biological Species/NCBI ID

taurine cattle

Substance RN

757185View in Reaxys

168/198

2018-05-24 05:26:41

393 of 476

394 of 476

Measurement Parameter

% Inhibition

Unit

Qualitative value

Quantitative value

0.0012

Deviation

0.0001

Concomitants: Compound name

[3H]FLUNITRAZEPAM

Concomitants: Compound role

RAD

Target Name

chloride channel

Target Synonyms

chloride channel; chloride channel activity

Target, Subunit, Species

chloride channel

Target Mutant/Chimera Details

chloride channel:Wild

Substance Action on Target

Agonist

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Agonistic activity of compound towards chloride channel receptor

Substance RN

757185View in Reaxys

Measurement Parameter

qualitative

Qualitative value

Not Published

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Anticonvulsant activity of the compound was determined by antielectroshock (minimal) test in mice

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Measurement Parameter

pEC50

Quantitative value

2.9

Measurement pX

2.9

S.P.Gupta; Chemical reviews; vol. 89; nb. 8; (1989); p. 1765 - 1800, View in Reaxys 395 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Compound was tested for its biological activity using exploratory behaviour test in rat

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Measurement Parameter

pIC50

Quantitative value

2.33

Measurement pX

2.33

Dimitra Hadjipavlou-Litina; Corwin Hansch; Chemical reviews; vol. 94; nb. 6; (1994); p. 1483 - 1505, View in Reaxys 396 of 476

Target Name

Peripheral-type benzodiazepine receptor-associated protein 1 [Rattus norvegicus]

Target Synonyms

bzrap1; peripheral-type benzodiazepine receptor-associated protein 1; prax-1; rbp1; rim-bp1; rimsbinding protein 1; tspo-associated protein 1; tspoap1

Target Uniprot ID

q9jir0

Target, Subunit, Species

Peripheral-type benzodiazepine receptor-associated protein 1 [Rattus norvegicus]

169/198

2018-05-24 05:26:41

Target Mutant/Chimera Details

Peripheral-type benzodiazepine receptor-associated protein 1 [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

In vitro molar concentration required for 50 inhibition of [3H]diazepam radioligand binding to Benzodiazepine receptor in rat brain membrane

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Measurement Parameter

pIC50

Quantitative value

7.99

Measurement pX

7.99

Concomitants: Compound name

[3H]Diazepam

Concomitants: Compound role

RAD

Dimitra Hadjipavlou-Litina; Corwin Hansch; Chemical reviews; vol. 94; nb. 6; (1994); p. 1483 - 1505, View in Reaxys 397 of 476

Target Name

Peripheral-type benzodiazepine receptor-associated protein 1 [Rattus norvegicus]

Target Synonyms

bzrap1; peripheral-type benzodiazepine receptor-associated protein 1; prax-1; rbp1; rim-bp1; rimsbinding protein 1; tspo-associated protein 1; tspoap1

Target Uniprot ID

q9jir0

Target, Subunit, Species

Peripheral-type benzodiazepine receptor-associated protein 1 [Rattus norvegicus]

Target Mutant/Chimera Details

Peripheral-type benzodiazepine receptor-associated protein 1 [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Compound was tested for 50 inhibition of the binding of [3H]diazepam to Benzodiazepine receptor in homogenates of rat brain cell membranes

Biological Species/NCBI ID

Rattus norvegicus

Organs/Tissues

brain

Substance RN

757185View in Reaxys

Measurement Parameter

pEC50

Quantitative value

7.99

Measurement pX

7.99

Concomitants: Compound name

[3H]Diazepam

Concomitants: Compound role

RAD

Dimitra Hadjipavlou-Litina; Corwin Hansch; Chemical reviews; vol. 94; nb. 6; (1994); p. 1483 - 1505, View in Reaxys 398 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Compound was tested for its biological activity using exploratory behaviour test

170/198

2018-05-24 05:26:41

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Measurement Parameter

pIC50

Quantitative value

2.33

Measurement pX

2.33

Dimitra Hadjipavlou-Litina; Corwin Hansch; Chemical reviews; vol. 94; nb. 6; (1994); p. 1483 - 1505, View in Reaxys 399 of 476

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose of the compound in mouse upon p.o. administration

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Qualitative Results

550

Measurement Parameter

LD50

Unit

mg/kg

Measurement Object

Lethal dose

Quantitative value

550

Vsesoyuznyi Institut Nauchnoi i Tekhnicheskoi Informatsii, 3206-79.; vol. #3206-79, View in Reaxys 400 of 476

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose of the compound in rabbit upon p.o. administration

Biological Species/NCBI ID

Leporidae

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Qualitative Results

520

Measurement Parameter

LD50

Unit

mg/kg

Measurement Object

Lethal dose

Quantitative value

520

RANDALL; SCHALLEK; SCHECKEL; BAGDON; RIEDER; Schweizerische medizinische Wochenschrift; vol. 95; (1965); p. 334 - 337, View in Reaxys 401 of 476

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose of the compound in mouse upon intraperitoneal administration

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Qualitative Results

275

Measurement Parameter

LD50

Unit

mg/kg

Quantitative value

275

Psychotropic Drugs and Related Compounds, 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972, 165.; (1972); p. 165, View in Reaxys 402 of 476

Bioassay Category

Toxicity/Safety Pharmacology

171/198

2018-05-24 05:26:41

Bioassay Details

Lethal dose of the compound in rabbit upon intravenous administration

Biological Species/NCBI ID

Leporidae

Substance RN

757185View in Reaxys

Qualitative Results

520

Measurement Parameter

LD50

Unit

mg/kg

Quantitative value

520

Psychotropic Drugs and Related Compounds, 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972, 165.; (1972); p. 165, View in Reaxys 403 of 476

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose of the compound in mouse upon subcutaneous administration

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Qualitative Results

> 400

Measurement Parameter

LD50

Unit

mg/kg

Quantitative value

400

RANDALL; SCHALLEK; SCHECKEL; BAGDON; RIEDER; Schweizerische medizinische Wochenschrift; vol. 95; (1965); p. 334 - 337, View in Reaxys 404 of 476

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose of the compound in mouse upon intravenous administration

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intravenous administration

Qualitative Results

130

Measurement Parameter

LD50

Unit

mg/kg

Measurement Object

Lethal dose

Quantitative value

130

U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals., NX#01434; vol. NX#01434, View in Reaxys 405 of 476

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Oral Lowest published toxic dose

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Measurement Parameter

TDLo

Unit

mg/kg

Qualitative value

Quantitative value

Psychotropic Drugs and Related Compounds, 2nd ed., Usdin, E., and D.H. Efron, Washington, DC; (1972), View in Reaxys 406 of 476

Target Name

Aldo-keto reductase family 1 member C1

172/198

2018-05-24 05:26:41

407 of 476

408 of 476

Target Synonyms

Target, Subunit, Species

Aldo-keto reductase family 1 member C1

Target Mutant/Chimera Details

Aldo-keto reductase family 1 member C1:Wild

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of compound against AKR1C1 was determined

Substance RN

757185View in Reaxys

Measurement Parameter

IC50

Unit

µM

Qualitative value

Quantitative value

Measurement pX

4.68

Target Name

Aldo-keto reductase family 1 member C2

Target Synonyms

Target, Subunit, Species

Aldo-keto reductase family 1 member C2

Target Mutant/Chimera Details

Aldo-keto reductase family 1 member C2:Wild

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Inhibitory concentration of compound against AKR1C2 was determined

Substance RN

757185View in Reaxys

Measurement Parameter

IC50

Unit

µM

Qualitative value

Quantitative value

Measurement pX

4.23

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Logarithm of effective dose of the compound evaluated using the foot-shock test in mice

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Unit

mM/kg

Qualitative value

Quantitative value

1.75

Lukovits; Journal of Medicinal Chemistry; vol. 26; nb. 8; (1983); p. 1104 - 1109, View in Reaxys 409 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Logarithm of effective dose of the compound determined using foot-shock test in mice

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Unit

mM/kg

173/198

2018-05-24 05:26:41

Measurement Object

Logarithm of effective dose

Qualitative value

Quantitative value

1.75

Lukovits; Journal of Medicinal Chemistry; vol. 26; nb. 8; (1983); p. 1104 - 1109, View in Reaxys 410 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Anticonvulsant activity of the compound was determined

Substance RN

757185View in Reaxys

Measurement Parameter

qualitative

Measurement Object

Anticonvulsant activity

Qualitative value

Not Published

Patent; John G. Topliss; US3429874; (A); (1969), View in Reaxys 411 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Bioavailability of the compound was determined after oral administration

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

F (drug bioavailability)

Unit

Measurement Object

Bioavailability

Qualitative value

Quantitative value

Fecik, Robert A.; Frank, Kristine E.; Gentry, Elmer J.; Menon, Sanjay R.; Mitscher, Lester A.; Telikepalli, Hanumaiah; Medicinal Research Reviews; vol. 18; nb. 3; (1998); p. 149 - 185, View in Reaxys 412 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Bioavailability of the compound was determined in human; high-moderate bioavailability

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Measurement Parameter

F (drug bioavailability)

Unit

Measurement Object

Bioavailability

Qualitative value

Quantitative value

Perez, Miguel Angel Cabrera; Sanz, Marival Bermejo; Torres, Liliana Ramos; Evalos, Ricardo Grau; Gonzalez, Maykel Perez; Diaz, Humberto Gonzalez; European Journal of Medicinal Chemistry; vol. 39; nb. 11; (2004); p. 905 - 916, View in Reaxys 413 of 476

Substance Effect

Antiviral

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Percent of HEPATITIS C VIRUS infection in HUH-7.5.1-c2 cells at 10 uM compound (dissolved in DMSO) concentration upon incubation at 37 degree C for 3 days relative to control

Biological Species/NCBI ID

Hepatitis C virus

Cells/Cell Lines

Huh-7.5.1 cell line

Substance RN

757185View in Reaxys

Measurement Parameter

percentage

Unit

174/198

2018-05-24 05:26:41

Measurement Object

Infection rate

Qualitative value

Quantitative value

100.8

Gastaminza, Pablo; Whitten-Bauer, Christina; Chisari, Francis V.; Proceedings of the National Academy of Sciences of the United States of America; vol. 107; nb. 1; (2010); p. 291 - 296, View in Reaxys 414 of 476

Substance Effect

Toxic

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Toxicity of the compound was determined by evaluating remaining HUH-7.5.1-c2 cell biomass upon incubation for 72 hours

Cells/Cell Lines

Huh-7.5.1 cell line

Substance RN

757185View in Reaxys

Measurement Parameter

Toxicity

Unit

Measurement Object

Toxicity

Qualitative value

Quantitative value

105.4

Bioassay Category

Metabolism/Transport

Bioassay Details

Ratio of drug concentration in breast milk to that of maternal plasma was determined

Cells/Cell Lines

plasma cell

Substance RN

757185View in Reaxys

Measurement Parameter

ratio

Quantitative value

0.27

Fatemi, Mohammad H.; Ghorbanzad'E, Mehdi; European Journal of Medicinal Chemistry; vol. 45; nb. 11; (2010); p. 5051 5055, View in Reaxys 416 of 476

Target Name

Peripheral-type benzodiazepine receptor-associated protein 1 [Rattus norvegicus]

Target Synonyms

bzrap1; peripheral-type benzodiazepine receptor-associated protein 1; prax-1; rbp1; rim-bp1; rimsbinding protein 1; tspo-associated protein 1; tspoap1

Target Uniprot ID

q9jir0

Target, Subunit, Species

Peripheral-type benzodiazepine receptor-associated protein 1 [Rattus norvegicus]

Target Mutant/Chimera Details

Peripheral-type benzodiazepine receptor-associated protein 1 [Rattus norvegicus]:Wild

Target Species (Bioactivity)

Rattus norvegicus

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effect of the compound on inhibition of specific binding of 0.6 nM [3H]-flunitrazepam to benzodiazepine receptor of rat forebrain membrane

Biological Species/NCBI ID

Rattus norvegicus

Substance RN

757185View in Reaxys

Measurement Parameter

IC50

Unit

Qualitative value

Quantitative value

Measurement pX

8.22

175/198

2018-05-24 05:26:41

417 of 476

Concomitants: Compound name

[3H]Flunitrazepam

Concomitants: Compound role

RAD

Bioassay Category

Pharmacokinetic

Bioassay Details

Absolute bioavailability of the compound in human upon administration was determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Measurement Parameter

F (drug bioavailability)

Unit

Qualitative value

Quantitative value

0.78

Artemenko; Kuz'Min; Muratov; Polishchuk; Borisyuk; Golovenko; Pharmaceutical Chemistry Journal; vol. 43; nb. 8; (2009); p. 454 - 462, View in Reaxys 418 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Time taken to reach maximum concentration of the compound in human blood upon administration was determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

Range = 1.5 - 2; Activity UOM not mentioned in article

Quantitative value

1.5 - 2

Artemenko; Kuz'Min; Muratov; Polishchuk; Borisyuk; Golovenko; Pharmaceutical Chemistry Journal; vol. 43; nb. 8; (2009); p. 454 - 462, View in Reaxys 419 of 476

Bioassay Category

Metabolism/Transport

Bioassay Details

Volume of distribution of the compound in human upon administration was determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

Activity UOM not mentioned in article

Artemenko; Kuz'Min; Muratov; Polishchuk; Borisyuk; Golovenko; Pharmaceutical Chemistry Journal; vol. 43; nb. 8; (2009); p. 454 - 462, View in Reaxys 420 of 476

Bioassay Category

Metabolism/Transport

Bioassay Details

Total clearance of the compound in human was determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

Activity UOM not mentioned in article

Measurement Parameter

qualitative

Measurement Object

Artemenko; Kuz'Min; Muratov; Polishchuk; Borisyuk; Golovenko; Pharmaceutical Chemistry Journal; vol. 43; nb. 8; (2009); p. 454 - 462, View in Reaxys 421 of 476

Bioassay Category

Metabolism/Transport

Bioassay Details

Elimination half life of the compound in human was determined

Biological Species/NCBI ID

human

176/198

2018-05-24 05:26:41

Substance RN

757185View in Reaxys

Qualitative Results

Range = 18 h - 25 h

Measurement Parameter

t1/2 el

Unit

hour

Measurement Object

Elimination half life

Qualitative value

Quantitative value

Artemenko; Kuz'Min; Muratov; Polishchuk; Borisyuk; Golovenko; Pharmaceutical Chemistry Journal; vol. 43; nb. 8; (2009); p. 454 - 462, View in Reaxys 422 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Activity of the compound was determined by using Clined screen test

Substance RN

757185View in Reaxys

Measurement Parameter

Activity

Quantitative value

4.27

Aoyama; Suzuki; Ichikawa; Journal of Medicinal Chemistry; vol. 33; nb. 9; (1990); p. 2583 - 2590, View in Reaxys 423 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Compound was evaluated for the Anti-pentylenetetrazole effect.

Substance RN

757185View in Reaxys

Measurement Parameter

Activity

Measurement Object

Antipent effect

Quantitative value

5.6

Concomitants: Compound name

Pentylenetetrazole

Concomitants: Compound role

COM

Aoyama; Suzuki; Ichikawa; Journal of Medicinal Chemistry; vol. 33; nb. 9; (1990); p. 2583 - 2590, View in Reaxys 424 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Compound was evaluated for the Anti-fighting behaviour.

Substance RN

757185View in Reaxys

Measurement Parameter

Activity

Measurement Object

Antifighting behaviour

Quantitative value

4.75

Aoyama; Suzuki; Ichikawa; Journal of Medicinal Chemistry; vol. 33; nb. 9; (1990); p. 2583 - 2590, View in Reaxys 425 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Anti-pentylenetetrazole effect of the compound was determined

Substance RN

757185View in Reaxys

Measurement Parameter

Activity

Quantitative value

5.6

Aoyama; Suzuki; Ichikawa; Journal of Medicinal Chemistry; vol. 33; nb. 9; (1990); p. 2583 - 2590, View in Reaxys 426 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Compound was evaluated for the Clined screen test.

Substance RN

757185View in Reaxys

Measurement Parameter

Activity

Measurement Object

Clined screen test

177/198

2018-05-24 05:26:41

Quantitative value

4.27

Aoyama; Suzuki; Ichikawa; Journal of Medicinal Chemistry; vol. 33; nb. 9; (1990); p. 2583 - 2590, View in Reaxys 427 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Anti-fighting behaviour of the compound was determined

Substance RN

757185View in Reaxys

Measurement Parameter

Activity

Quantitative value

4.75

Aoyama; Suzuki; Ichikawa; Journal of Medicinal Chemistry; vol. 33; nb. 9; (1990); p. 2583 - 2590, View in Reaxys 428 of 476

Bioassay Category

Pharmacokinetic

Bioassay Details

Bioavailability of compound in human after oral dose was determined

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

F (drug bioavailability)

Unit

Qualitative value

Quantitative value

Moda, Tiago L.; Montanari, Carlos A.; Andricopulo, Adriano D.; Bioorganic and Medicinal Chemistry; vol. 15; nb. 24; (2007); p. 7738 - 7745, View in Reaxys 429 of 476

430 of 476

Target Name

Dihydropteridine reductase [Escherichia coli]

Target Synonyms

dihydropteridine reductase; dihydropteridine reductase, nad(p)h-dependent, oxygen-insensitive; nad(p)h nitroreductase; nad(p)h-dependent oxidoreductase; nfnb; oxygen-insensitive nad(p)h nitroreductase

Target Uniprot ID

a0a024l6h0; a0a094vlp5; a0a0b1jr41; a0a0d8w9r9; a0a0l1cbp1; a0a0l7agg6; a0a0t5xnz1; a0a0u4kvs8; c3tkb7; e2qhd8

Target, Subunit, Species

Dihydropteridine reductase [Escherichia coli]

Target Mutant/Chimera Details

Dihydropteridine reductase [Escherichia coli]:Wild

Target Species (Bioactivity)

Escherichia coli

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Ratio of catalytic activity to that of michaelis-menten constant towards recombinant escherichia coli nitroreductase NfsB in the presence of NADPH (2 mM) incubated for 2 h under anaerobic conditions using nitroreductase assay

Biological Species/NCBI ID

Escherichia coli

Substance RN

757185View in Reaxys

Qualitative Results

kcat/Km not calculated

Measurement Parameter

qualitative

Measurement Object

kcat/Km

Concomitants: Compound name

NADPH (2 mM)

Concomitants: Compound role

COM

Target Name

Dihydropteridine reductase [Escherichia coli]

178/198

2018-05-24 05:26:41

431 of 476

Target Synonyms

Target Uniprot ID

a0a024l6h0; a0a094vlp5; a0a0b1jr41; a0a0d8w9r9; a0a0l1cbp1; a0a0l7agg6; a0a0t5xnz1; a0a0u4kvs8; c3tkb7; e2qhd8

Target, Subunit, Species

Dihydropteridine reductase [Escherichia coli]

Target Mutant/Chimera Details

Dihydropteridine reductase [Escherichia coli]:Wild

Target Species (Bioactivity)

Escherichia coli

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Catalytic activity of compound towards recombinant escherichia coli nitroreductase NfsB in the presence of NADPH (2 mM) incubated for 2 h under anaerobic conditions using nitroreductase assay

Biological Species/NCBI ID

Escherichia coli

Substance RN

757185View in Reaxys

Measurement Parameter

kcat

Unit

min-1

Measurement Object

catalytic activity

Qualitative value

Quantitative value

1980

Deviation

400

Concomitants: Compound name

NADPH (2 mM)

Concomitants: Compound role

COM

Target Name

Dihydropteridine reductase [Escherichia coli]

Target Synonyms

Target Uniprot ID

a0a024l6h0; a0a094vlp5; a0a0b1jr41; a0a0d8w9r9; a0a0l1cbp1; a0a0l7agg6; a0a0t5xnz1; a0a0u4kvs8; c3tkb7; e2qhd8

Target, Subunit, Species

Dihydropteridine reductase [Escherichia coli]

Target Mutant/Chimera Details

Dihydropteridine reductase [Escherichia coli]:Wild

Target Species (Bioactivity)

Escherichia coli

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Maximum velocity of compound towards recombinant escherichia coli nitroreductase NfsB in the presence of NADPH (2 mM) incubated for 2 h under anaerobic conditions using nitroreductase assay

Biological Species/NCBI ID

Escherichia coli

Substance RN

757185View in Reaxys

Measurement Parameter

Vmax

Unit

µM/min

Measurement Object

Maximum velocity

Qualitative value

Quantitative value

1650

179/198

2018-05-24 05:26:41

432 of 476

433 of 476

Deviation

270

Concomitants: Compound name

NADPH (2 mM)

Concomitants: Compound role

COM

Target Name

Dihydropteridine reductase [Escherichia coli]

Target Synonyms

Target Uniprot ID

a0a024l6h0; a0a094vlp5; a0a0b1jr41; a0a0d8w9r9; a0a0l1cbp1; a0a0l7agg6; a0a0t5xnz1; a0a0u4kvs8; c3tkb7; e2qhd8

Target, Subunit, Species

Dihydropteridine reductase [Escherichia coli]

Target Mutant/Chimera Details

Dihydropteridine reductase [Escherichia coli]:Wild

Target Species (Bioactivity)

Escherichia coli

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Michaelis-Menten constant of compound towards recombinant escherichia coli nitroreductase NfsB in the presence of NADPH (2mM) incubated for 2 h under anaerobic conditions using nitroreductase assay

Biological Species/NCBI ID

Escherichia coli

Substance RN

757185View in Reaxys

Measurement Parameter

Km (Michaelis constant)

Unit

µM

Measurement Object

Michaelis-menten constant

Qualitative value

Quantitative value

6.57

Deviation

1.4

Measurement pX

5.18

Concomitants: Compound name

NADPH (2 mM)

Concomitants: Compound role

COM

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Anticonvulsant activity of the compound; A denotes that the compound is anticonvulsant

Substance RN

757185View in Reaxys

Qualitative Results

Measurement Parameter

Activity

Measurement Object

Anticonvulsant activity

Qualitative value

Bruno-Blanch; Galvez; Garcia-Domenech; Bioorganic and Medicinal Chemistry Letters; vol. 13; nb. 16; (2003); p. 2749 2754, View in Reaxys 434 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Anticonvulsant activity of the compound; compound is anticonvulsant

Substance RN

757185View in Reaxys

Measurement Parameter

Activity

Measurement Object

Anticonvulsant activity

180/198

2018-05-24 05:26:41

Qualitative value

Bruno-Blanch; Galvez; Garcia-Domenech; Bioorganic and Medicinal Chemistry Letters; vol. 13; nb. 16; (2003); p. 2749 2754, View in Reaxys 435 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Effective dose was evaluated by Antipentamethylenetetrazole in mice after peroral administration

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

ED50

Unit

mg/kg

Qualitative value

Quantitative value

0.5

STERNBACH; FRYER; KELLER; METLESICS; SACH; STEIGER; Journal of medicinal chemistry; vol. 6; (1963); p. 261 - 265, View in Reaxys 436 of 476

Bioassay Category

In Vivo (Animal models)

Bioassay Details

Tested for minimum effective dose in cat after peroral administration

Biological Species/NCBI ID

domestic cat

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

MED

Unit

mg/kg

Measurement Object

Minimum effective dose

Qualitative value

Quantitative value

0.1

STERNBACH; FRYER; KELLER; METLESICS; SACH; STEIGER; Journal of medicinal chemistry; vol. 6; (1963); p. 261 - 265, View in Reaxys 437 of 476

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose was evaluated by anti-strychnine test in mice after peroral administration

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

LD50

Unit

mg/kg

Qualitative value

Quantitative value

STERNBACH; FRYER; KELLER; METLESICS; SACH; STEIGER; Journal of medicinal chemistry; vol. 6; (1963); p. 261 - 265, View in Reaxys 438 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effective dose was evaluated by Max. Electroshock in mice after peroral administration

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

181/198

2018-05-24 05:26:41

Measurement Parameter

ED50

Unit

mg/kg

Measurement Object

Maximum electroshock

Qualitative value

Quantitative value

STERNBACH; FRYER; KELLER; METLESICS; SACH; STEIGER; Journal of medicinal chemistry; vol. 6; (1963); p. 261 - 265, View in Reaxys 439 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effective dose was evaluated by minimum electroshock in mice after peroral administration

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

ED50

Unit

mg/kg

Measurement Object

Minimum electroshock in mice

Qualitative value

Quantitative value

132

STERNBACH; FRYER; KELLER; METLESICS; SACH; STEIGER; Journal of medicinal chemistry; vol. 6; (1963); p. 261 - 265, View in Reaxys 440 of 476

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose was evaluated by foot shock test in mice after peroral administration

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

LD50

Unit

mg/kg

Qualitative value

Quantitative value

STERNBACH; FRYER; KELLER; METLESICS; SACH; STEIGER; Journal of medicinal chemistry; vol. 6; (1963); p. 261 - 265, View in Reaxys 441 of 476

Bioassay Category

Toxicity/Safety Pharmacology

Bioassay Details

Lethal dose was evaluated in mice after intraperitoneal administration

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

intraperitoneal administration

Measurement Parameter

LD50

Unit

mg/kg

Qualitative value

Quantitative value

275

STERNBACH; FRYER; KELLER; METLESICS; SACH; STEIGER; Journal of medicinal chemistry; vol. 6; (1963); p. 261 - 265, View in Reaxys 442 of 476

Bioassay Category

Toxicity/Safety Pharmacology

182/198

2018-05-24 05:26:41

Bioassay Details

Lethal dose was evaluated by inclined screen test in mice after peroral administration

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

LD50

Unit

mg/kg

Qualitative value

Quantitative value

STERNBACH; FRYER; KELLER; METLESICS; SACH; STEIGER; Journal of medicinal chemistry; vol. 6; (1963); p. 261 - 265, View in Reaxys 443 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effective dose was evaluated by Min.Electroshock in mice after peroral administration

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

ED50

Unit

mg/kg

Measurement Object

Minimum electroshock

Qualitative value

Quantitative value

132

STERNBACH; FRYER; KELLER; METLESICS; SACH; STEIGER; Journal of medicinal chemistry; vol. 6; (1963); p. 261 - 265, View in Reaxys 444 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Effective dose was evaluated by maximum electroshock in mice after peroral administration

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Route of Adm.

oral administration

Measurement Parameter

ED50

Unit

mg/kg

Measurement Object

maximum electroshock in mice

Qualitative value

Quantitative value

STERNBACH; FRYER; KELLER; METLESICS; SACH; STEIGER; Journal of medicinal chemistry; vol. 6; (1963); p. 261 - 265, View in Reaxys 445 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Dose of the compound required to produce sedation was determined in a double blind study

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Measurement Parameter

dose

Unit

Measurement Object

produce sedation

183/198

2018-05-24 05:26:41

Qualitative value

Quantitative value

Joel G. Berger; Louis C. Iorio; Annual reports in medicinal chemistry; vol. 14; nb. 19; (1979); p. 22 - 30, View in Reaxys 446 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Hypnotic effect of the compound was determined in human at a dose of 10 mg; Effective

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

Effective

Measurement Parameter

Activity

Qualitative value

Cornelius K. Cain; Annual reports in medicinal chemistry; vol. 2; (1966); p. 24 - 32, View in Reaxys 447 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Tested for hypnotic activity in chronic insomnia; Effective

Substance RN

757185View in Reaxys

Qualitative Results

Effective

Measurement Parameter

Activity

Qualitative value

Joseph P. Yevich; James S. New; Michael S. Eison; Annual reports in medicinal chemistry; vol. 18; (1983); p. 11 - 20, View in Reaxys 448 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Compound was tested for anti-convulsant activity

Substance RN

757185View in Reaxys

Measurement Parameter

Activity

Qualitative value

Cornelius K. Cain; Annual reports in medicinal chemistry; vol. 1; (1965); p. 30 - 39, View in Reaxys 449 of 476

Bioassay Category

In Vitro (Efficacy)

Bioassay Details

Hypnotic effect of the compound was determined in human at a dose of 5 mg; Effective

Biological Species/NCBI ID

human

Substance RN

757185View in Reaxys

Qualitative Results

Effective

Measurement Parameter

Activity

Qualitative value

Cornelius K. Cain; Annual reports in medicinal chemistry; vol. 2; (1966); p. 24 - 32, View in Reaxys 450 of 476

Target Name

Fatty acid binding protein, heart-type [human]

Target Synonyms

fatty acid binding protein, heart-type

Target, Subunit, Species

Fatty acid binding protein, heart-type [human]

Target Mutant/Chimera Details

Fatty acid binding protein, heart-type [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Inhibitor

184/198

2018-05-24 05:26:41

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

hCMEC/D3 cell line

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Measurement Parameter

Ki (inhibition constant)

Unit

μM

Quantitative value

Measurement pX

4.55

Concomitants: Compound RN

1843887

Concomitants: Compound name

1-anilinonaphthalene-8-sulfonic acid

Concomitants: Compound role

RAD

Lee, Gordon S.; Kappler, Katharina; Porter, Christopher J. H.; Scanlon, Martin J.; Nicolazzo, Joseph A.; Pharmaceutical Research; vol. 32; nb. 10; (2015); p. 3432 - 3446, View in Reaxys 451 of 476

Target Name

Fatty acid-binding protein, adipocyte [human]

Target Synonyms

a-fabp; adipocyte lipid-binding protein; adipocyte-type fatty acid-binding protein; afabp; albp; fabp4; fatty acid-binding protein 4; fatty acid-binding protein, adipocyte

Target Uniprot ID

p15090

Target PDB ID

1tou; 1tow; 2hnx; 2nnq; 3fr2; 3fr4; 3fr5; 3p6c; 3p6d; 3p6e; 3p6f; 3p6g; 3p6h; 3q6l; 3rzy; 4nns; 4nnt; 5d45; 5d47; 5d48; 5d4a; 5edb; 5edc; 5hz6; 5hz8

Target, Subunit, Species

Fatty acid-binding protein, adipocyte [human]

Target Mutant/Chimera Details

Fatty acid-binding protein, adipocyte [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

hCMEC/D3 cell line

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Measurement Parameter

Ki (inhibition constant)

Unit

μM

Quantitative value

Measurement pX

4.44

Concomitants: Compound RN

1843887

Concomitants: Compound name

1-anilinonaphthalene-8-sulfonic acid

Concomitants: Compound role

RAD

Lee, Gordon S.; Kappler, Katharina; Porter, Christopher J. H.; Scanlon, Martin J.; Nicolazzo, Joseph A.; Pharmaceutical Research; vol. 32; nb. 10; (2015); p. 3432 - 3446, View in Reaxys 452 of 476

Target Name

Fatty acid-binding protein, epidermal [human]

185/198

2018-05-24 05:26:41

Target Synonyms

e-fabp; epidermal-type fatty acid-binding protein; fabp5; fatty acid-binding protein 5; fatty acidbinding protein, epidermal; pa-fabp; psoriasis-associated fatty acid-binding protein homolog

Target Uniprot ID

q01469

Target PDB ID

1b56; 1jjj; 4azm; 4azr; 4lkp; 4lkt; 5hz5

Target, Subunit, Species

Fatty acid-binding protein, epidermal [human]

Target Mutant/Chimera Details

Fatty acid-binding protein, epidermal [human]:Wild

Target Species (Bioactivity)

human

Target Transfection

Transfected

Substance Action on Target

Inhibitor

Bioassay Category

In Vitro (Efficacy)

Cells/Cell Lines

hCMEC/D3 cell line

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Measurement Parameter

Ki (inhibition constant)

Unit

μM

Quantitative value

Measurement pX

4.7

Concomitants: Compound RN

1843887

Concomitants: Compound name

1-anilinonaphthalene-8-sulfonic acid

Concomitants: Compound role

RAD

Lee, Gordon S.; Kappler, Katharina; Porter, Christopher J. H.; Scanlon, Martin J.; Nicolazzo, Joseph A.; Pharmaceutical Research; vol. 32; nb. 10; (2015); p. 3432 - 3446, View in Reaxys 453 of 476

Target Name

potassium ATP channel [Mus musculus]; GABA-A receptor [Mus musculus]

Target Synonyms

potassium atp channel + gaba-a receptor

Target, Subunit, Species

potassium ATP channel [Mus musculus]; GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

potassium ATP channel [Mus musculus]:Wild; GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus; Mus musculus

Target Transfection

Non Transfected; Non Transfected

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.05 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

% Inhibition

186/198

2018-05-24 05:26:41

454 of 476

455 of 476

Measurement Object

immobility time

Qualitative value

Active

Concomitants: Compound RN

2230085

Concomitants: Compound name

glibenclamide

Concomitants: Compound role

INH

Target Name

potassium ATP channel [Mus musculus]; GABA-A receptor [Mus musculus]

Target Synonyms

potassium atp channel + gaba-a receptor

Target, Subunit, Species

potassium ATP channel [Mus musculus]; GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

potassium ATP channel [Mus musculus]:Wild; GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus; Mus musculus

Target Transfection

Non Transfected; Non Transfected

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.05 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

immobility time increase

Measurement Object

immobility time

Qualitative value

Active

Concomitants: Compound RN

3560683

Concomitants: Compound name

cromakalim

Concomitants: Compound role

OPN

Target Name

potassium ATP channel [Mus musculus]; GABA-A receptor [Mus musculus]

Target Synonyms

potassium atp channel + gaba-a receptor

Target, Subunit, Species

potassium ATP channel [Mus musculus]; GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

potassium ATP channel [Mus musculus]:Wild; GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus; Mus musculus

Target Transfection

Non Transfected; Non Transfected

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

187/198

2018-05-24 05:26:41

456 of 476

457 of 476

Substance Name

nitrazepam

Substance Dose

0.05 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

immobility time increase

Measurement Object

immobility time

Qualitative value

Active

Concomitants: Compound RN

3560683

Concomitants: Compound name

cromakalim

Concomitants: Compound role

OPN

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Antidepressant

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.05 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

number of rearings decrease

Measurement Object

Rearing

Qualitative value

Not active

Measurement pX

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Antidepressant

Bioassay Category

Toxicity/Safety Pharmacology

188/198

2018-05-24 05:26:41

458 of 476

459 of 476

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.1 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

number of rearings decrease

Measurement Object

Rearing

Qualitative value

Not active

Measurement pX

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Antidepressant

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.5 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

number of rearings decrease

Measurement Object

Rearing

Qualitative value

Not active

Measurement pX

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Antidepressant

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

Mus musculus

189/198

2018-05-24 05:26:41

460 of 476

461 of 476

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.05 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

inhibition rate

Measurement Object

line crossing

Qualitative value

Not active

Measurement pX

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Antidepressant

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.1 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

inhibition rate

Measurement Object

line crossing

Qualitative value

Not active

Measurement pX

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Antidepressant

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

190/198

2018-05-24 05:26:41

462 of 476

463 of 476

Substance Dose

0.5 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

inhibition rate

Measurement Object

line crossing

Qualitative value

Not active

Measurement pX

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Antidepressant

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.05 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

inhibition rate

Measurement Object

grooming

Qualitative value

Not active

Measurement pX

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Antidepressant

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.1 mg/kg

Substance Route of Adm.

intraperitoneal administration

191/198

2018-05-24 05:26:41

464 of 476

465 of 476

Substance Dosing Regimen

Single

Measurement Parameter

inhibition rate

Measurement Object

grooming

Qualitative value

Not active

Measurement pX

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Antidepressant

Bioassay Category

Toxicity/Safety Pharmacology

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.5 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

inhibition rate

Measurement Object

grooming

Qualitative value

Not active

Measurement pX

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.05 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

192/198

2018-05-24 05:26:41

466 of 476

467 of 476

Measurement Parameter

% Inhibition

Measurement Object

number of successful passing

Qualitative value

Not active

Measurement pX

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.1 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

% Inhibition

Measurement Object

number of successful passing

Qualitative value

Not active

Measurement pX

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.5 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

% Inhibition

Measurement Object

number of successful passing

193/198

2018-05-24 05:26:41

468 of 476

469 of 476

470 of 476

Qualitative value

Not active

Measurement pX

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Anxiolytic

Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.1 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

% Increase

Measurement Object

number of Head dips

Qualitative value

Active

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Anxiolytic

Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.5 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

% Increase

Measurement Object

number of Head dips

Qualitative value

Active

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

194/198

2018-05-24 05:26:41

471 of 476

472 of 476

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Anxiolytic

Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.05 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

% Increase

Measurement Object

number of Head dips

Qualitative value

Not active

Measurement pX

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.5 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

% Inhibition

Measurement Object

immobility time

Qualitative value

Active

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

195/198

2018-05-24 05:26:41

473 of 476

474 of 476

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.05 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

% Inhibition

Measurement Object

immobility time

Qualitative value

Not active

Measurement pX

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.1 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

% Inhibition

Measurement Object

immobility time

Qualitative value

Not active

Measurement pX

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

196/198

2018-05-24 05:26:41

475 of 476

476 of 476

Target Transfection

Non Transfected

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.5 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

% Inhibition

Measurement Object

immobility time

Qualitative value

Active

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.05 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

% Inhibition

Measurement Object

immobility time

Qualitative value

Not active

Measurement pX

Target Name

GABA-A receptor [Mus musculus]

Target Synonyms

gaba-a receptor

Target, Subunit, Species

GABA-A receptor [Mus musculus]

Target Mutant/Chimera Details

GABA-A receptor [Mus musculus]:Wild

Target Species (Bioactivity)

Mus musculus

Target Transfection

Non Transfected

Substance Effect

Antidepressant

Bioassay Category

In Vivo (Animal models)

197/198

2018-05-24 05:26:41

Biological Species/NCBI ID

Mus musculus

Substance RN

757185View in Reaxys

Substance Name

nitrazepam

Substance Dose

0.1 mg/kg

Substance Route of Adm.

intraperitoneal administration

Substance Dosing Regimen

Single

Measurement Parameter

% Inhibition

Measurement Object

immobility time

Qualitative value

Not active

Measurement pX

198/198

2018-05-24 05:26:41