Query Query Cl
Results
Date
2 substances in Reaxys
2017-11-08 16h:36m:21s (EST)
1 substances in Reaxys
2017-11-08 16h:36m:45s (EST)
H
HO
1. Query H 2N
Search as: As drawn, No salts, No mixtures, No isotopes, No charges, No radicals 2. Query
(1. Query) AND itemno in (1)
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
1/59
2017-11-08 16:39:50
Reaxys ID 4357479 View in Reaxys
Cl
1/1 CAS Registry Number: 40626-29-7 Chemical Name: Acutrim; (1S,2R)-1-hydroxy-1-phenylprop-2ylamine hydrochloride; Norephedrine hydrochloride; (1S,2R)(+)-1-phenyl-2-amino-1-propanol hydrochloride; (1S,2R)-1-phenylpropan-1-ol-2-amine hydrochloride; (1S,2R)-2-amino-1-phenylpropan-1-ol hydrochloride; (1S,2R)-(+)-norephedrine hydrochloride Linear Structure Formula: C9H13NO*HCl Molecular Formula: C9H13NO*ClH Molecular Weight: 187.669 Type of Substance: isocyclic InChI Key: DYWNLSQWJMTVGJ-PRCZDLBKSA-N Note:
H
HO H 2N
Substance Label (3) Label References 1
Chennakesava Rao; Easwaramoorthi; Arun; Balachandran; Muralidhara Rao; Govindhan; Emi, Nobuhiko; Prakasam; Perumal; Bioorganic and Medicinal Chemistry Letters; vol. 25; nb. 19; (2015); p. 4232 4238, View in Reaxys
1b-(e)
Cruz, Alejandro; Contreras, Rosalinda; Padilla-Martinez, Itzia I.; Juarez-Juarez, Minerva; Tetrahedron Asymmetry; vol. 17; nb. 10; (2006); p. 1499 - 1505, View in Reaxys
77
Wiles, Charlotte; Watts, Paul; Haswell, Stephen J.; Pombo-Villar, Esteban; Tetrahedron; vol. 61; nb. 45; (2005); p. 10757 - 10773, View in Reaxys
Druglikeness (1) 1 of 1
LogP
1.51
H Bond Donors
2
H Bond Acceptors
2
Rotatable Bonds
2
TPSA
46.25
Lipinski Number
4
Veber Number
2
Highest Clinical Phase (1) Highest Clinical Phase Withdrawn Derivative (1) Derivative (1S,2R)-norephedrine hydrothiocyanate
References Cruz, Alejandro; Contreras, Rosalinda; Padilla-Martinez, Itzia I.; Juarez-Juarez, Minerva; Tetrahedron Asymmetry; vol. 17; nb. 10; (2006); p. 1499 - 1505, View in Reaxys
Melting Point (3) 1 of 3
Melting Point [°C]
171 - 173
Location
Paragraph 048
Patent; EMBIO LIMITED; JOSHI, Sunil Vaman; BUTALA, Minal Madhukar; GOLLAPUDY, Subrahmanyam; WO2015/198108; (2015); (A1) English, View in Reaxys 2 of 3
Melting Point [°C]
173
Beyrich; Junghaenel; Mietz; Hauschke; Pharmazie; vol. 52; nb. 7; (1997); p. 512 - 516, View in Reaxys 3 of 3
Melting Point [°C]
171 - 172
Solvent (Melting Point)
ethanol
Kanao; Chemische Berichte; vol. 63; (1930); p. 97, View in Reaxys Association (MCS) (1) 1 of 1
Description (Association Stability constant of the complex with ... (MCS))
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
2/59
2017-11-08 16:39:50
Solvent (Association (MCS))
dimethylsulfoxide-d6; H2O
Temperature (Association (MCS)) [°C]
20
Partner (Association (MCS))
tetrabutylammonium m-xylene bis(methylphosphonate)
Schrader, Thomas; Angewandte Chemie; vol. 108; nb. 22; (1996); p. 2816 - 2818, View in Reaxys Crystal Property Description (1) Colour & Other References Properties hygroskopische Tafeln
Kanao; Chemische Berichte; vol. 63; (1930); p. 97, View in Reaxys
Enthalpy of Fusion (1) Enthalpy of FuReferences sion [Jmol-1] 14900
Beyrich; Junghaenel; Mietz; Hauschke; Pharmazie; vol. 52; nb. 7; (1997); p. 512 - 516, View in Reaxys
Liquid/Solid Systems (MCS) (1) 1 of 1
Description (Liquid/Solid Eutectic Systems (MCS)) Partner (Liquid/Solid Systems (MCS))
norephedrine hydrochloride
Beyrich; Junghaenel; Mietz; Hauschke; Pharmazie; vol. 52; nb. 7; (1997); p. 512 - 516, View in Reaxys Mutarotation (1) 1 of 1
Type (Mutarotation)
[alpha]
Concentration (Mutarotation)
p=6
Solvent (Mutarotation)
H2O
Mutarotation [deg]
33.4
Wavelength (Mutarotation) [nm]
589
Temperature (Mutarotation) [°C]
27
Kanao; Chemische Berichte; vol. 63; (1930); p. 97, View in Reaxys Optical Rotatory Power (4) 1 of 4
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
0.7 g/100ml
Solvent (Optical Rotatory Power)
H2O
Optical Rotatory Power [deg]
34.9
Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
25
Effenberger, Franz; Gutterer, Beate; Ziegler, Thomas; Liebigs Annalen der Chemie; nb. 3; (1991); p. 269 - 273, View in Reaxys 2 of 4
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
1.2 g/100ml
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
3/59
2017-11-08 16:39:50
Solvent (Optical Rotatory Power)
H2O
Optical Rotatory Power [deg]
33.2
Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
27
Noe, Christian R.; Knollmueller, Max; Goestl, Georg; Gaertner, Peter; Monatshefte fuer Chemie; vol. 122; nb. 4; (1991); p. 283 - 290, View in Reaxys 3 of 4
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
7.3 g/100ml
Solvent (Optical Rotatory Power)
H2O
Optical Rotatory Power [deg]
33.9
Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
23
Grunewald; Ye; Journal of Medicinal Chemistry; vol. 31; nb. 10; (1988); p. 1984 - 1986, View in Reaxys 4 of 4
Type (Optical Rotatory Power)
[alpha]
Concentration (Optical Rotatory Power)
1 g/100ml
Solvent (Optical Rotatory Power)
H2O
Optical Rotatory Power [deg]
33
Wavelength (Optical Ro- 589 tatory Power) [nm] Temperature (Optical Rotatory Power) [°C]
20
Berrang; Lewin; Carroll; Journal of Organic Chemistry; vol. 47; nb. 13; (1982); p. 2643 - 2647, View in Reaxys NMR Spectroscopy (2) 1 of 2
Description (NMR Spec- Chemical shifts troscopy) Nucleus (NMR Spectroscopy)
1H
Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Effenberger, Franz; Gutterer, Beate; Ziegler, Thomas; Liebigs Annalen der Chemie; nb. 3; (1991); p. 269 - 273, View in Reaxys 2 of 2
Description (NMR Spec- Spin-spin coupling constants troscopy) Solvents (NMR Spectro- dimethylsulfoxide-d6 scopy) Comment (NMR Spectroscopy)
1H-1H
Effenberger, Franz; Gutterer, Beate; Ziegler, Thomas; Liebigs Annalen der Chemie; nb. 3; (1991); p. 269 - 273, View in Reaxys
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
4/59
2017-11-08 16:39:50
Raman Spectroscopy (1) Description (Ram- Comment (Raman Spectroscopy) an Spectroscopy) Spectrum
H2O
References Yu, Gu-Sheng; Che, Diping; Freedman, Teresa B.; Nafie, Laurence A.; Tetrahedron: Asymmetry; vol. 4; nb. 3; (1993); p. 511 - 516, View in Reaxys
Medchem (143) 1 of 143
Target Name
Alpha adrenergic receptor [rabbit]
Target Synonyms
alpha adrenergic receptor
Target, Subunit, Species Alpha adrenergic receptor [rabbit] Target Mutant/Chimera Details
Alpha adrenergic receptor [rabbit]:Wild
Target Species (Bioactivity)
rabbit
Target Transfection
Non Transfected
Substance Action on Target
Agonist
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Organ contraction
Biological Species/NCBI rabbit ID
2 of 143
Organs/Tissues
Intestine: ileum
Substance RN
4357479View in Reaxys
Substance Name
phenylpropanolamine
Measurement Parameter
EC50
Unit
µM
Quantitative value
5.32
Measurement pX
5.27
Concomitants: Compound RN
272944
Concomitants: Compound name
Phentolamine
Concomitants: Compound role
COM
Target Name
Alpha adrenergic receptor [rabbit]
Target Synonyms
alpha adrenergic receptor
Target, Subunit, Species Alpha adrenergic receptor [rabbit] Target Mutant/Chimera Details
Alpha adrenergic receptor [rabbit]:Wild
Target Species (Bioactivity)
rabbit
Target Transfection
Non Transfected
Substance Action on Target
Agonist
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
Organ contraction
Biological Species/NCBI rabbit ID Organs/Tissues
Uterus
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
5/59
2017-11-08 16:39:50
3 of 143
Substance RN
4357479View in Reaxys
Substance Name
phenylpropanolamine
Measurement Parameter
EC50
Unit
µM
Quantitative value
5.8
Measurement pX
5.24
Concomitants: Compound RN
272944
Concomitants: Compound name
Phentolamine
Concomitants: Compound role
COM
Target Name
Amine oxidase [flavin-containing] A [Rattus norvegicus]
Target Synonyms
amine oxidase; mao-a; maoa; monoamine oxidase type a
Target Uniprot ID
p21396
Target PDB ID
1o5w
Target, Subunit, Species Amine oxidase [flavin-containing] A [Rattus norvegicus] Target Mutant/Chimera Details
Amine oxidase [flavin-containing] A [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Transfection
Non Transfected
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology inhibition
Biological Species/NCBI Sprague Dawley rat ID
4 of 143
Organs/Tissues
lung
Cell Fraction
Homogenate
Substance RN
4357479View in Reaxys
Substance Name
d,l-Norephedrine HCl
Measurement Parameter
Ki
Unit
µM
Quantitative value
243
Deviation
33
Measurement pX
3.61
Metabolite RN
1453495
Metabolite name
5-hydroxyindole-3-acetaldehyde
Concomitants: Compound RN
3886526
Concomitants: Compound name
[14C]-5-HT creatinine sulfate
Concomitants: Compound role
SUB
Target Name
Amine oxidase [flavin-containing] A [Rattus norvegicus]
Target Synonyms
amine oxidase; mao-a; maoa; monoamine oxidase type a
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
6/59
2017-11-08 16:39:50
Target Uniprot ID
p21396
Target PDB ID
1o5w
Target, Subunit, Species Amine oxidase [flavin-containing] A [Rattus norvegicus] Target Mutant/Chimera Details
Amine oxidase [flavin-containing] A [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Transfection
Non Transfected
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology inhibition
Biological Species/NCBI Sprague Dawley rat ID
5 of 143
Organs/Tissues
liver
Cell Fraction
Homogenate
Substance RN
4357479View in Reaxys
Substance Name
d,l-Norephedrine HCl
Measurement Parameter
Ki
Unit
µM
Quantitative value
267
Deviation
16
Measurement pX
3.57
Metabolite RN
1453495
Metabolite name
5-hydroxyindole-3-acetaldehyde
Concomitants: Compound RN
3886526
Concomitants: Compound name
[14C]-5-HT creatinine sulfate
Concomitants: Compound role
SUB
Target Name
Amine oxidase [flavin-containing] A [Rattus norvegicus]
Target Synonyms
amine oxidase; mao-a; maoa; monoamine oxidase type a
Target Uniprot ID
p21396
Target PDB ID
1o5w
Target, Subunit, Species Amine oxidase [flavin-containing] A [Rattus norvegicus] Target Mutant/Chimera Details
Amine oxidase [flavin-containing] A [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Transfection
Non Transfected
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology inhibition
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
brain
Cell Fraction
Homogenate
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
7/59
2017-11-08 16:39:50
6 of 143
Substance RN
4357479View in Reaxys
Substance Name
d,l-Norephedrine HCl
Measurement Parameter
Ki
Unit
µM
Quantitative value
222
Deviation
18
Measurement pX
3.65
Metabolite RN
1453495
Metabolite name
5-hydroxyindole-3-acetaldehyde
Concomitants: Compound RN
3886526
Concomitants: Compound name
[14C]-5-HT creatinine sulfate
Concomitants: Compound role
SUB
Target Name
Amine oxidase [flavin-containing] A [Rattus norvegicus]
Target Synonyms
amine oxidase; mao-a; maoa; monoamine oxidase type a
Target Uniprot ID
p21396
Target PDB ID
1o5w
Target, Subunit, Species Amine oxidase [flavin-containing] A [Rattus norvegicus] Target Mutant/Chimera Details
Amine oxidase [flavin-containing] A [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Transfection
Non Transfected
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology inhibition
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
lung
Cell Fraction
Homogenate
Substance RN
4357479View in Reaxys
Substance Name
d,l-Norephedrine HCl
Measurement Parameter
Ki
Unit
µM
Quantitative value
3400
Deviation
650
Measurement pX
2.47
Metabolite RN
505944
Metabolite name
Ethanolamine
Concomitants: Compound RN
3624163
Concomitants: Compound name
[14C]-beta-Phenylethylamine hydrochloride
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
8/59
2017-11-08 16:39:50
7 of 143
Concomitants: Compound role
SUB
Target Name
Amine oxidase [flavin-containing] A [Rattus norvegicus]
Target Synonyms
amine oxidase; mao-a; maoa; monoamine oxidase type a
Target Uniprot ID
p21396
Target PDB ID
1o5w
Target, Subunit, Species Amine oxidase [flavin-containing] A [Rattus norvegicus] Target Mutant/Chimera Details
Amine oxidase [flavin-containing] A [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Transfection
Non Transfected
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology inhibition
Biological Species/NCBI Sprague Dawley rat ID
8 of 143
Organs/Tissues
liver
Cell Fraction
Homogenate
Substance RN
4357479View in Reaxys
Substance Name
d,l-Norephedrine HCl
Measurement Parameter
Ki
Unit
µM
Quantitative value
3300
Deviation
850
Measurement pX
2.48
Metabolite RN
505944
Metabolite name
Ethanolamine
Concomitants: Compound RN
3624163
Concomitants: Compound name
[14C]-beta-Phenylethylamine hydrochloride
Concomitants: Compound role
SUB
Target Name
Amine oxidase [flavin-containing] A [Rattus norvegicus]
Target Synonyms
amine oxidase; mao-a; maoa; monoamine oxidase type a
Target Uniprot ID
p21396
Target PDB ID
1o5w
Target, Subunit, Species Amine oxidase [flavin-containing] A [Rattus norvegicus] Target Mutant/Chimera Details
Amine oxidase [flavin-containing] A [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Transfection
Non Transfected
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology inhibition
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
9/59
2017-11-08 16:39:50
Biological Species/NCBI Sprague Dawley rat ID
9 of 143
Organs/Tissues
brain
Cell Fraction
Homogenate
Substance RN
4357479View in Reaxys
Substance Name
d,l-Norephedrine HCl
Measurement Parameter
Ki
Unit
µM
Quantitative value
2600
Deviation
820
Measurement pX
2.59
Metabolite RN
505944
Metabolite name
Ethanolamine
Concomitants: Compound RN
3624163
Concomitants: Compound name
[14C]-beta-Phenylethylamine hydrochloride
Concomitants: Compound role
SUB
Target Name
Amine oxidase [flavin-containing] A [Rattus norvegicus]
Target Synonyms
amine oxidase; mao-a; maoa; monoamine oxidase type a
Target Uniprot ID
p21396
Target PDB ID
1o5w
Target, Subunit, Species Amine oxidase [flavin-containing] A [Rattus norvegicus] Target Mutant/Chimera Details
Amine oxidase [flavin-containing] A [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Transfection
Non Transfected
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology inhibition
Biological Species/NCBI Sprague Dawley rat ID Organs/Tissues
liver
Cell Fraction
Homogenate
Substance RN
4357479View in Reaxys
Substance Name
d,l-Norephedrine HCl
Substance Dose
0.250000 mM
Measurement Parameter
% Inhibition
Unit
%
Quantitative value
0.47
Measurement pX
1
Metabolite RN
1453495
Metabolite name
5-hydroxyindole-3-acetaldehyde
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
10/59
2017-11-08 16:39:50
10 of 143
Concomitants: Compound RN
3886526
Concomitants: Compound name
[14C]-5-HT creatinine sulfate
Concomitants: Compound role
SUB
Target Name
Amine oxidase [flavin-containing] A [Rattus norvegicus]
Target Synonyms
amine oxidase; mao-a; maoa; monoamine oxidase type a
Target Uniprot ID
p21396
Target PDB ID
1o5w
Target, Subunit, Species Amine oxidase [flavin-containing] A [Rattus norvegicus] Target Mutant/Chimera Details
Amine oxidase [flavin-containing] A [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Target Transfection
Non Transfected
Bioassay Category
Metabolism/Transport
Bioassay Name
Enzymology inhibition
Biological Species/NCBI Sprague Dawley rat ID
11 of 143
Organs/Tissues
liver
Cell Fraction
Homogenate
Substance RN
4357479View in Reaxys
Substance Name
d,l-Norephedrine HCl
Substance Dose
0.330000 mM
Measurement Parameter
% Inhibition
Unit
%
Quantitative value
0.77
Measurement pX
1
Metabolite RN
1453495
Metabolite name
5-hydroxyindole-3-acetaldehyde
Concomitants: Compound RN
3886526
Concomitants: Compound name
[14C]-5-HT creatinine sulfate
Concomitants: Compound role
SUB
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
In Vitro (others)
Bioassay Details
Effect : |transport Bioassay : Ki,cl,NMeN=contraluminal apparent Ki against N1-methylnicotinamide (NMEN), Ki,l,choline=luminal apparent Ki against choline, Ki,l,MPP=luminal apparent Ki against MPP, 3H-NMeN and 14C-inulin (0.01 mM) used as volume and/or space in vitro; kidney capsules (proximal tubule) from rats (180-200 g); luminal stop flow tubular microperfusion method; 37 degC; title comp. and 3H-methyl-4-phenylpyridinium (MPP) (0.01 mM) or 3H-choline+ (0.01 mM) applied in HCO3- Ringer's
Biological Species/NCBI Rattus norvegicus ID Substance RN
4357479View in Reaxys
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
11/59
2017-11-08 16:39:50
Substance Name
1503645
Qualitative Results
Ki,cl,NmeN=1.4 mM; Ki,l,MPP=5.1 mM; Ki,l,choline=12.4 mM
Measurement Parameter
Qualitative
Somogyi, Andrew A.; Rumrich, Gerhard; Fritzsch, Guenter; Ullrich, Karl J.; Journal of Pharmacology and Experimental Therapeutics; vol. 278; nb. 1; (1996); p. 31 - 36, View in Reaxys 12 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Substance Name
phenylpropanolamine HCL
Substance Route of Adm.
oral administration
Measurement Parameter
Cmax i/Cmax
Qualitative value
#
Quantitative value
1.2
Metabolite RN
4298024; 4298023
Metabolite name
(-)-Warfarin; (+)-Warfarin
Concomitants: Compound RN
7496939
Concomitants: Compound name
Linezolid
Concomitants: Compound role
ICP
; (2000); Type: Clinical Pharmacology Biopharmaceutics Review, Lab: NDA021130-021131-021132, Owner: PHARMACIA AND UPJOHN, Number: 000, Revision: 18.04.2000 00:00:00, View in Reaxys 13 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Substance Name
phenylpropanolamine HCL
Substance Route of Adm.
oral administration
Measurement Parameter
AUC i/AUC
Qualitative value
#
Quantitative value
1.22
Concomitants: Compound RN
7496939
Concomitants: Compound name
Linezolid
Concomitants: Compound role
ICP
; (2000); Type: Clinical Pharmacology Biopharmaceutics Review, Lab: NDA021130-021131-021132, Owner: PHARMACIA AND UPJOHN, Number: 000, Revision: 18.04.2000 00:00:00, View in Reaxys 14 of 143
Substance Effect
Decongestant
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
12/59
2017-11-08 16:39:50
Bioassay Category
In Vitro (Efficacy)
Bioassay Name
In Vitro (others)
Substance RN
4357479View in Reaxys
Substance Name
Norephedrine hydrochloride
Measurement Parameter
Qualitative
Qualitative value
@
; (2012); Type: Review, Lab: EFF_071212, Owner: EFFECT, Number: 000, Revision: 07.12.2012 00:00:00, View in Reaxys 15 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Healthy
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine HCl
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Repeated men Measurement Parameter
Ue (%)
Unit
%
Quantitative value
75
Deviation
13
Chester, Neil; Mottram, David R.; Reilly, Thomas; Powell, Mark; British Journal of Clinical Pharmacology; vol. 57; nb. 1; (2004); p. 62 - 67, View in Reaxys 16 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Healthy
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine HCl
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Repeated men Measurement Parameter
Cmax
Unit
mg/L
Quantitative value
65
Deviation
31
Chester, Neil; Mottram, David R.; Reilly, Thomas; Powell, Mark; British Journal of Clinical Pharmacology; vol. 57; nb. 1; (2004); p. 62 - 67, View in Reaxys
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
13/59
2017-11-08 16:39:50
17 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Healthy
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine HCl
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Repeated men Measurement Parameter
Tmax
Unit
hour
Quantitative value
4
Chester, Neil; Mottram, David R.; Reilly, Thomas; Powell, Mark; British Journal of Clinical Pharmacology; vol. 57; nb. 1; (2004); p. 62 - 67, View in Reaxys 18 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Healthy
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine HCl
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Repeated men Measurement Parameter
pH
Quantitative value
6.3
Deviation
0.300000
Chester, Neil; Mottram, David R.; Reilly, Thomas; Powell, Mark; British Journal of Clinical Pharmacology; vol. 57; nb. 1; (2004); p. 62 - 67, View in Reaxys 19 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
50 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
14/59
2017-11-08 16:39:50
Measurement Parameter
Cmax
Unit
ng/mL
Quantitative value
182.28
Deviation
27.2200
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 20 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
Cmax
Unit
ng/mL
Quantitative value
113.12
Deviation
45.8600
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 21 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
100 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
Cmax
Unit
ng/mL
Quantitative value
396.82
Deviation
69.9400
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 22 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
15/59
2017-11-08 16:39:50
Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
50 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
Tmax
Unit
hour
Quantitative value
1
Deviation
0.500000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 23 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
100 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
Tmax
Unit
hour
Quantitative value
1.7
Deviation
0.570000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 24 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
Tmax
Unit
hour
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
16/59
2017-11-08 16:39:50
Quantitative value
1.47
Deviation
0.950000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 25 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
AUC
Unit
ng.h/mL
Quantitative value
610.57
Deviation
103.240
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 26 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
50 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
AUC
Unit
ng.h/mL
Quantitative value
1170.98
Deviation
146.480
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 27 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
17/59
2017-11-08 16:39:50
Substance Dose
100 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
AUC
Unit
ng.h/mL
Quantitative value
2530.8
Deviation
563.870
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 28 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
kabs
Unit
h-1
Quantitative value
3.38
Deviation
2.55000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 29 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
100 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
kabs
Unit
h-1
Quantitative value
3.27
Deviation
2.89000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
18/59
2017-11-08 16:39:50
30 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
50 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
kabs
Unit
h-1
Quantitative value
3.83
Deviation
3.52000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 31 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
kel
Unit
h-1
Quantitative value
0.16
Deviation
0.0100000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 32 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
100 mg
Substance Route of Adm.
oral administration
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
19/59
2017-11-08 16:39:50
Substance Dosing Regi- Single men Measurement Parameter
kel
Unit
h-1
Quantitative value
0.17
Deviation
0.0100000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 33 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
50 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
kel
Unit
h-1
Quantitative value
0.18
Deviation
0.0200000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 34 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
t1/2 el
Unit
hour
Quantitative value
4.39
Deviation
0.390000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 35 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
20/59
2017-11-08 16:39:50
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
50 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
t1/2 el
Unit
hour
Quantitative value
3.86
Deviation
0.400000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 36 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
100 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
t1/2 el
Unit
hour
Quantitative value
3.8
Deviation
0.830000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 37 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
50 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
21/59
2017-11-08 16:39:50
Measurement Parameter
Vd/F
Unit
L/kg
Quantitative value
3.18
Deviation
0.700000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 38 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
Vd/F
Unit
L/kg
Quantitative value
3.26
Deviation
0.750000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 39 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
100 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
Vd/F
Unit
L/kg
Quantitative value
2.96
Deviation
0.860000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 40 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
22/59
2017-11-08 16:39:50
Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
50 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
ClR
Unit
L/h/kg
Quantitative value
0.42
Deviation
0.0300000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 41 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
ClR
Unit
L/h/kg
Quantitative value
0.41
Deviation
0.0900000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 42 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
100 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
ClR
Unit
L/h/kg
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
23/59
2017-11-08 16:39:50
Quantitative value
0.44
Deviation
0.110000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 43 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
100 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
Cl/F
Unit
L/h/kg
Quantitative value
0.53
Deviation
0.0800000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 44 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
50 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
Cl/F
Unit
L/h/kg
Quantitative value
0.57
Deviation
0.120000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 45 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
24/59
2017-11-08 16:39:50
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
Cl/F
Unit
L/h/kg
Quantitative value
0.56
Deviation
0.150000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 46 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
Ue (%)
Unit
%
Quantitative value
64.02
Deviation
10.3500
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 47 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
100 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
Ue (%)
Unit
%
Quantitative value
73.26
Deviation
10.6600
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
25/59
2017-11-08 16:39:50
48 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
50 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Single men Measurement Parameter
Ue (%)
Unit
%
Quantitative value
63.3
Deviation
8.50000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 49 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Repeated men Measurement Parameter
Cmax
Unit
ng/mL
Quantitative value
182.79
Deviation
11.1200
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 50 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
26/59
2017-11-08 16:39:50
Substance Dosing Regi- Repeated men Measurement Parameter
Cmin
Unit
ng/mL
Quantitative value
112.79
Deviation
30.2800
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 51 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Repeated men Measurement Parameter
AUC
Unit
ng.h/mL
Quantitative value
559.79
Deviation
63.9000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 52 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Repeated men Measurement Parameter
Concentration
Unit
ng/mL
Quantitative value
137.88
Deviation
26.9800
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 53 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
27/59
2017-11-08 16:39:50
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Repeated men Measurement Parameter
kel
Unit
h-1
Quantitative value
0.15
Deviation
0.0100000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 54 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Repeated men Measurement Parameter
t1/2 el
Unit
hour
Quantitative value
4.71
Deviation
0.370000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 55 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Repeated men
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
28/59
2017-11-08 16:39:50
Measurement Parameter
Vd/F
Unit
L/kg
Quantitative value
4.08
Deviation
0.910000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 56 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Repeated men Measurement Parameter
Cl/F
Unit
L/h/kg
Quantitative value
0.5
Deviation
0.0900000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 57 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Repeated men Measurement Parameter
Tmax
Unit
hour
Quantitative value
0.73
Deviation
0.250000
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 58 of 143
Bioassay Category
Pharmacokinetic
Bioassay Name
Pharmacokinetic
Biological Species/NCBI Human ID
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
29/59
2017-11-08 16:39:50
Population State
Non Smoker
Substance RN
4357479View in Reaxys
Substance Name
Phenylpropanolamine hydrochloride
Substance Dose
25 mg
Substance Route of Adm.
oral administration
Substance Dosing Regi- Repeated men Measurement Parameter
Cavg
Unit
ng/mL
Quantitative value
140
Scherzinger; Dowse; Kanfer; Journal of Clinical Pharmacology; vol. 30; nb. 4; (1990); p. 372 - 377, View in Reaxys 59 of 143
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Lowest toxic dose of the compound in human after oral administration
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
oral administration
Qualitative Results
2.142
Measurement Parameter
TDLo
Unit
mg/kg
Measurement Object
Lowest toxic dose
Quantitative value
2.142
Lake; Zaloga; Clymer; Quirk; Chernow; American Journal of Medicine; vol. 85; nb. 3; (1988); p. 339 - 343, View in Reaxys 60 of 143
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Tested for inhibition of Norepinephrine uptake in isolated rat heart measured as the log of reciprocal of I50 concentration relative to phenethylamine = 100 (uptake1)
Biological Species/NCBI Rattus norvegicus ID Organs/Tissues
Heart
Substance RN
4357479View in Reaxys
Measurement Parameter
Qualitative
Measurement Object
log A
Ban; Fujita; Journal of medicinal chemistry; vol. 12; nb. 3; (1969); p. 353 - 356, View in Reaxys 61 of 143
Target Name
Phenylethanolamine N-methyltransferase [Cercopithecidae]
Target Synonyms
phenylethanolamine n-methyltransferase
Target, Subunit, Species Phenylethanolamine N-methyltransferase [Cercopithecidae] Target Mutant/Chimera Details
Phenylethanolamine N-methyltransferase [Cercopithecidae]:Wild
Target Species (Bioactivity)
Cercopithecidae
Bioassay Category
In Vitro (Efficacy)
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
30/59
2017-11-08 16:39:50
Bioassay Details
Effect of the compound towards Phenylethanolamine N-methyltransferase from monkey adrenal glands
Biological Species/NCBI Monkey ID
62 of 143
Organs/Tissues
Gland: adrenal
Substance RN
4357479View in Reaxys
Measurement Parameter
Qualitative
Measurement Object
log A
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Lethal dose of the compound in rabbit after intramuscular administration
Biological Species/NCBI rabbit ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
intramuscular administration
Qualitative Results
320
Measurement Parameter
LD50
Unit
mg/kg
Measurement Object
Lethal dose
Quantitative value
320
MARSHALL R. WARREN; HAROLD W. WERNER; The Journal of pharmacology and experimental therapeutics; vol. 86; (1946); p. 284, View in Reaxys 63 of 143
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Lethal dose of the compound in mouse after intraperitoneal administration
Biological Species/NCBI Mus musculus ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
intraperitoneal administration
Qualitative Results
428
Measurement Parameter
LD50
Unit
mg/kg
Quantitative value
428
SIEGMUND; NASH; GRANGER; The Journal of pharmacology and experimental therapeutics; vol. 92; nb. 3; (1948); p. 207 - 213, View in Reaxys 64 of 143
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Lethal dose of the compound in rabbit after subcutaneous administration
Biological Species/NCBI rabbit ID Substance RN
4357479View in Reaxys
Qualitative Results
255
Measurement Parameter
LD50
Unit
mg/kg
Quantitative value
255
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
31/59
2017-11-08 16:39:50
MARSHALL R. WARREN; HAROLD W. WERNER; The Journal of pharmacology and experimental therapeutics; vol. 86; (1946); p. 284, View in Reaxys 65 of 143
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Lethal dose of the compound in rat after intraperitoneal administration
Biological Species/NCBI Rattus norvegicus ID Substance RN
4357479View in Reaxys
Qualitative Results
160
Measurement Parameter
LD50
Unit
mg/kg
Quantitative value
160
MARSHALL R. WARREN; HAROLD W. WERNER; The Journal of pharmacology and experimental therapeutics; vol. 86; (1946); p. 284, View in Reaxys 66 of 143
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Lowest lethal dose of the compound in guinea pig after subcutaneous administration
Biological Species/NCBI guinea pig ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
subcutaneous administration
Qualitative Results
600
Measurement Parameter
LDLo
Unit
mg/kg
Measurement Object
Lowest lethal dose
Quantitative value
600
Journal of the American Chemical Society; vol. 52; (1930); p. 3317, View in Reaxys 67 of 143
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Lethal dose of the compound in rabbit after intravenous administration
Biological Species/NCBI rabbit ID Substance RN
4357479View in Reaxys
Qualitative Results
50
Measurement Parameter
LD50
Unit
mg/kg
Quantitative value
50
MARSHALL R. WARREN; HAROLD W. WERNER; The Journal of pharmacology and experimental therapeutics; vol. 86; (1946); p. 284, View in Reaxys 68 of 143
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Lowest lethal dose of the compound in rat after subcutaneous administration
Biological Species/NCBI Rattus norvegicus ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
subcutaneous administration
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
32/59
2017-11-08 16:39:50
Qualitative Results
80
Measurement Parameter
LDLo
Unit
mg/kg
Measurement Object
Lowest lethal dose
Quantitative value
80
The Journal of pharmacology and experimental therapeutics; vol. 71; (1941); p. 62, View in Reaxys 69 of 143
Bioassay Category
Toxicity/Safety Pharmacology
Bioassay Details
Lethal dose of the compound in mouse after subcutaneous administration
Biological Species/NCBI Mus musculus ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
subcutaneous administration
Measurement Parameter
LD50
Unit
mg/kg
Quantitative value
600
MARSHALL R. WARREN; HAROLD W. WERNER; The Journal of pharmacology and experimental therapeutics; vol. 86; (1946); p. 280, View in Reaxys 70 of 143
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Tested for intrinsic effect at the concentration of 3X10e-6M
Biological Species/NCBI Rattus norvegicus ID Substance RN
4357479View in Reaxys
Measurement Parameter
IA (%)
Unit
%
Qualitative value
<
Quantitative value
5
Miller; Hsu; Salman; Patil; Journal of Medicinal Chemistry; vol. 19; nb. 1; (1976); p. 180 - 184, View in Reaxys 71 of 143
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Ability to potentiate the action of (-)norepinephrine in rat vas deference at the dose of 3X10e-6 M
Biological Species/NCBI Rattus norvegicus ID Organs/Tissues
Vas deferens
Substance RN
4357479View in Reaxys
Measurement Parameter
IA (%)
Unit
%
Qualitative value
=
Quantitative value
66
Miller; Hsu; Salman; Patil; Journal of Medicinal Chemistry; vol. 19; nb. 1; (1976); p. 180 - 184, View in Reaxys 72 of 143
Substance Action on Target
Radioligand (/ligand)
Bioassay Category
In Vitro (Efficacy)
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
33/59
2017-11-08 16:39:50
Bioassay Details
Inhibition of binding of amphetamine-3H to Anti-methamphetamine serum
Substance RN
4357479View in Reaxys
Measurement Parameter
IC50
Unit
ng
Qualitative value
=
Quantitative value
20
Concomitants: Compound name
[3H]Amphetamine
Concomitants: Compound role
RAD
Faraj; Israili; Kight; Smissman; Pazdernik; Journal of medicinal chemistry; vol. 19; nb. 1; (1976); p. 20 - 25, View in Reaxys 73 of 143
Bioassay Category
Pharmacokinetic
Bioassay Details
Peak plasma concentration of the compound in human upon oral administration
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
0.08
Measurement Parameter
Cmax
Unit
µg/mL
Quantitative value
0.08
Clarke's Analysis of Drugs and Poisons, View in Reaxys 74 of 143
Bioassay Category
Metabolism/Transport
Bioassay Details
Plasma half life of the compound
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
4
Measurement Parameter
t1/2 el
Unit
hour
Measurement Object
Half Life
Quantitative value
4
Clarke's Analysis of Drugs and Poisons, View in Reaxys 75 of 143
Bioassay Category
Pharmacokinetic
Bioassay Details
Urinary excretion of unchanged drug after 24 h of oral administration in human
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
90
Measurement Parameter
Ue (%)
Unit
%
Quantitative value
90
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
34/59
2017-11-08 16:39:50
Clarke's Analysis of Drugs and Poisons, View in Reaxys 76 of 143
Bioassay Category
Pharmacokinetic
Bioassay Details
Time to reach peak plasma concentration of the compound in human upon oral administration
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
2
Measurement Parameter
Tmax
Unit
hour
Quantitative value
2
Clarke's Analysis of Drugs and Poisons, View in Reaxys 77 of 143
Target Name
5-hydroxytryptamine receptor [Rattus norvegicus]
Target Synonyms
5-hydroxytryptamine receptor
Target, Subunit, Species 5-hydroxytryptamine receptor [Rattus norvegicus] Target Mutant/Chimera Details
5-hydroxytryptamine receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Substance Action on Target
Radioligand (/ligand)
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Affinity against 5-hydroxytryptamine receptor in rat fundus model; not determined
Biological Species/NCBI Rattus norvegicus ID
78 of 143
Substance RN
4357479View in Reaxys
Measurement Parameter
pA2
Qualitative value
ND
Target Name
Alpha-2A adrenergic receptor [Rattus norvegicus]
Target Synonyms
adra2a; alpha-2a adrenergic receptor; alpha-2a adrenoceptor; alpha-2a adrenoreceptor; alpha-2aar; alpha-2d adrenergic receptor; ca2-47
Target Uniprot ID
p22909
Target, Subunit, Species Alpha-2A adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details
Alpha-2A adrenergic receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Functional agonism of the compounds to constrict tissue containing the alpha-2A adrenoceptor in rat prostatic vas deferens
Biological Species/NCBI Rattus norvegicus ID Organs/Tissues
Vas deferens
Substance RN
4357479View in Reaxys
Measurement Parameter
pD
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
35/59
2017-11-08 16:39:50
Quantitative value
5.17
Measurement pX
5.17
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 79 of 143
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Uroselectivity was determined by measuring effective dose required for 5 mmHg increase of intraurethral pressure (IUP) in vivo in dog
Biological Species/NCBI dog ID Substance RN
4357479View in Reaxys
Measurement Parameter
Activity
Unit
nM/kg
Measurement Object
Change in ED5
Qualitative value
=
Quantitative value
1100
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 80 of 143
Target Name
Alpha-1B adrenergic receptor [Rattus norvegicus]
Target Synonyms
adra1b; alpha-1b adrenergic receptor; alpha-1b adrenoceptor; alpha-1b adrenoreceptor
Target Uniprot ID
p15823
Target, Subunit, Species Alpha-1B adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details
Alpha-1B adrenergic receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Functional agonism of the compounds to constrict tissue containing the alpha-1B adrenergic receptor in rat spleen
Biological Species/NCBI Rattus norvegicus ID Organs/Tissues
Spleen
Substance RN
4357479View in Reaxys
Measurement Parameter
pD
Quantitative value
3.55
Measurement pX
3.55
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holla-
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
36/59
2017-11-08 16:39:50
day, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 81 of 143
Target Name
Alpha-2B adrenergic receptor [Rattus norvegicus]
Target Synonyms
adra2b; alpha-2b adrenergic receptor; alpha-2b adrenoceptor; alpha-2b adrenoreceptor; alpha-2bar
Target Uniprot ID
p19328
Target, Subunit, Species Alpha-2B adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details
Alpha-2B adrenergic receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Substance Action on Target
Radioligand (/ligand)
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Selectivity is ratio of pKi (binding affinity) of Alpha-2B adrenergic receptor to that of Alpha-1A adrenergic receptor
Biological Species/NCBI Rattus norvegicus ID Substance RN
4357479View in Reaxys
Measurement Parameter
Qualitative
Qualitative value
Not Published
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 82 of 143
Target Name
Alpha-1A adrenergic receptor [Rattus norvegicus]
Target Synonyms
adra1a (alpha-1a adrenergic receptor); adra1c; alpha-1a adrenergic receptor; alpha-1a adrenoceptor; alpha-1a adrenoreceptor; alpha-1c adrenergic receptor
Target Uniprot ID
p43140
Target, Subunit, Species Alpha-1A adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details
Alpha-1A adrenergic receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Substance Action on Target
Radioligand (/ligand)
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
In vitro binding affinity of the compound towards rat submaxillary gland alpha-1A adrenergic receptor was measured by radioligand binding assay
Biological Species/NCBI Rattus norvegicus ID Organs/Tissues
Gland: submandibular
Substance RN
4357479View in Reaxys
Measurement Parameter
pKi
Quantitative value
5.01
Measurement pX
5.01
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
37/59
2017-11-08 16:39:50
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 83 of 143
Target Name
Alpha-2A adrenergic receptor [Rattus norvegicus]
Target Synonyms
adra2a; alpha-2a adrenergic receptor; alpha-2a adrenoceptor; alpha-2a adrenoreceptor; alpha-2aar; alpha-2d adrenergic receptor; ca2-47
Target Uniprot ID
p22909
Target, Subunit, Species Alpha-2A adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details
Alpha-2A adrenergic receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Substance Action on Target
Radioligand (/ligand)
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Selectivity is ratio of efficacy of Alpha-2A adrenergic receptor to that of Alpha-1A adrenergic receptor
Biological Species/NCBI Rattus norvegicus ID Substance RN
4357479View in Reaxys
Measurement Parameter
Qualitative
Qualitative value
Not Published
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 84 of 143
Target Name
Alpha-1D adrenergic receptor [Rattus norvegicus]
Target Synonyms
adra1a (alpha-1d adrenergic receptor); adra1d; alpha-1a adrenergic receptor (alpha-1d adrenergic receptor); alpha-1d adrenergic receptor; alpha-1d adrenoceptor; alpha-1d adrenoreceptor; ra42
Target Uniprot ID
p23944
Target, Subunit, Species Alpha-1D adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details
Alpha-1D adrenergic receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Functional agonism of the compounds to constrict tissue containing the alpha-1D adrenergic receptor in rat aorta
Biological Species/NCBI Rattus norvegicus ID Cells/Cell Lines
Aortic cell
Substance RN
4357479View in Reaxys
Measurement Parameter
pD
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
38/59
2017-11-08 16:39:50
Quantitative value
4.12
Measurement pX
4.12
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 85 of 143
Target Name
Alpha-1B adrenergic receptor [hamster]
Target Synonyms
alpha-1b adrenergic receptor
Target, Subunit, Species Alpha-1B adrenergic receptor [hamster] Target Mutant/Chimera Details
Alpha-1B adrenergic receptor [hamster]:Wild
Target Species (Bioactivity)
hamster
Substance Action on Target
Radioligand (/ligand)
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
In vitro binding affinity of the compound towards hamster clone alpha-1B adrenergic receptor was measured by radioligand binding assay
Biological Species/NCBI hamster ID Substance RN
4357479View in Reaxys
Measurement Parameter
pKi
Quantitative value
5.02
Measurement pX
5.02
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 86 of 143
Target Name
Alpha-1D adrenergic receptor [Rattus norvegicus]
Target Synonyms
adra1a (alpha-1d adrenergic receptor); adra1d; alpha-1a adrenergic receptor (alpha-1d adrenergic receptor); alpha-1d adrenergic receptor; alpha-1d adrenoceptor; alpha-1d adrenoreceptor; ra42
Target Uniprot ID
p23944
Target, Subunit, Species Alpha-1D adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details
Alpha-1D adrenergic receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Substance Action on Target
Radioligand (/ligand)
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Selectivity is ratio of pKi (binding affinity) of Alpha-1D adrenergic receptor to that of Alpha-1A adrenergic receptor
Biological Species/NCBI Rattus norvegicus ID
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
39/59
2017-11-08 16:39:50
Substance RN
4357479View in Reaxys
Measurement Parameter
Qualitative
Qualitative value
Not Published
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 87 of 143
Target Name
Alpha-1B adrenergic receptor [Rattus norvegicus]
Target Synonyms
adra1b; alpha-1b adrenergic receptor; alpha-1b adrenoceptor; alpha-1b adrenoreceptor
Target Uniprot ID
p15823
Target, Subunit, Species Alpha-1B adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details
Alpha-1B adrenergic receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Substance Action on Target
Radioligand (/ligand)
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Selectivity is ratio of efficacy of Alpha-1B adrenergic receptor to that of Alpha-1A adrenergic receptor
Biological Species/NCBI Rattus norvegicus ID Substance RN
4357479View in Reaxys
Measurement Parameter
Qualitative
Qualitative value
Not Published
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 88 of 143
Target Name
Alpha-1D adrenergic receptor [Rattus norvegicus]
Target Synonyms
adra1a (alpha-1d adrenergic receptor); adra1d; alpha-1a adrenergic receptor (alpha-1d adrenergic receptor); alpha-1d adrenergic receptor; alpha-1d adrenoceptor; alpha-1d adrenoreceptor; ra42
Target Uniprot ID
p23944
Target, Subunit, Species Alpha-1D adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details
Alpha-1D adrenergic receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Substance Action on Target
Radioligand (/ligand)
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
In vitro binding affinity of the compound towards rat clone alpha-1D adrenergic receptor was measured by radioligand binding assay
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
40/59
2017-11-08 16:39:50
Biological Species/NCBI Rattus norvegicus ID Substance RN
4357479View in Reaxys
Measurement Parameter
pKi
Quantitative value
5.07
Measurement pX
5.07
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 89 of 143
Target Name
Alpha-2A adrenergic receptor [human]
Target Synonyms
adra2a; adra2r; adrar; alpha-2 adrenergic receptor subtype c10; alpha-2a adrenergic receptor; alpha-2a adrenoceptor; alpha-2a adrenoreceptor; alpha-2aar
Target Uniprot ID
p08913
Target, Subunit, Species Alpha-2A adrenergic receptor [human] Target Mutant/Chimera Details
Alpha-2A adrenergic receptor [human]:Wild
Target Species (Bioactivity)
human
Substance Action on Target
Radioligand (/ligand)
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
In vitro binding affinity towards alpha-2A adrenergic receptor of human clone in radioligand binding assay
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Measurement Parameter
pKi
Quantitative value
6.56
Measurement pX
6.56
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 90 of 143
Target Name
Alpha-2A adrenergic receptor [Rattus norvegicus]
Target Synonyms
adra2a; alpha-2a adrenergic receptor; alpha-2a adrenoceptor; alpha-2a adrenoreceptor; alpha-2aar; alpha-2d adrenergic receptor; ca2-47
Target Uniprot ID
p22909
Target, Subunit, Species Alpha-2A adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details
Alpha-2A adrenergic receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Bioassay Category
In Vitro (Efficacy)
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
41/59
2017-11-08 16:39:50
Bioassay Details
Efficacy of the compound relative to phenylephrine (PE) to constrict tissue containing the alpha-2A adrenergic receptor in rat prostatic vas deferens
Biological Species/NCBI Rattus norvegicus ID Organs/Tissues
Vas deferens
Substance RN
4357479View in Reaxys
Measurement Parameter
Activity
Unit
%
Measurement Object
Efficacy
Qualitative value
=
Quantitative value
85
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 91 of 143
Target Name
Alpha-2A adrenergic receptor [Rattus norvegicus]
Target Synonyms
adra2a; alpha-2a adrenergic receptor; alpha-2a adrenoceptor; alpha-2a adrenoreceptor; alpha-2aar; alpha-2d adrenergic receptor; ca2-47
Target Uniprot ID
p22909
Target, Subunit, Species Alpha-2A adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details
Alpha-2A adrenergic receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Substance Action on Target
Radioligand (/ligand)
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Selectivity is ratio of pKi (binding affinity) of Alpha-2A adrenergic receptor to that of Alpha-1A adrenergic receptor
Biological Species/NCBI Rattus norvegicus ID Substance RN
4357479View in Reaxys
Measurement Parameter
Qualitative
Qualitative value
Not Published
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 92 of 143
Target Name
Alpha-1A adrenergic receptor [rabbit]
Target Synonyms
alpha-1a adrenergic receptor
Target, Subunit, Species Alpha-1A adrenergic receptor [rabbit] Target Mutant/Chimera Details
Alpha-1A adrenergic receptor [rabbit]:Wild
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
42/59
2017-11-08 16:39:50
Target Species (Bioactivity)
rabbit
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Functional agonism of the compounds to constrict tissue containing the alpha-1A adrenergic receptor in rabbit urethra
Biological Species/NCBI rabbit ID Organs/Tissues
Urethra
Substance RN
4357479View in Reaxys
Measurement Parameter
pD
Quantitative value
3.63
Measurement pX
3.63
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 93 of 143
Target Name
Alpha-1B adrenergic receptor [hamster]
Target Synonyms
alpha-1b adrenergic receptor
Target, Subunit, Species Alpha-1B adrenergic receptor [hamster] Target Mutant/Chimera Details
Alpha-1B adrenergic receptor [hamster]:Wild
Target Species (Bioactivity)
hamster
Substance Action on Target
Radioligand (/ligand)
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Selectivity is ratio of pKi (binding affinity) of Alpha-1B adrenergic receptor to that of Alpha-1A adrenergic receptor
Biological Species/NCBI hamster ID Substance RN
4357479View in Reaxys
Measurement Parameter
Qualitative
Qualitative value
Not Published
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 94 of 143
Target Name
Alpha-1B adrenergic receptor [Rattus norvegicus]
Target Synonyms
adra1b; alpha-1b adrenergic receptor; alpha-1b adrenoceptor; alpha-1b adrenoreceptor
Target Uniprot ID
p15823
Target, Subunit, Species Alpha-1B adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details
Alpha-1B adrenergic receptor [Rattus norvegicus]:Wild
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
43/59
2017-11-08 16:39:50
Target Species (Bioactivity)
Rattus norvegicus
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Efficacy of the compound relative to phenylephrine (PE) constrict tissue containing the alpha-1B adrenergic receptor in rat spleen
Biological Species/NCBI Rattus norvegicus ID Organs/Tissues
Spleen
Substance RN
4357479View in Reaxys
Measurement Parameter
Activity
Unit
%
Measurement Object
Efficacy
Qualitative value
=
Quantitative value
34
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 95 of 143
Target Name
Alpha-1D adrenergic receptor [Rattus norvegicus]
Target Synonyms
adra1a (alpha-1d adrenergic receptor); adra1d; alpha-1a adrenergic receptor (alpha-1d adrenergic receptor); alpha-1d adrenergic receptor; alpha-1d adrenoceptor; alpha-1d adrenoreceptor; ra42
Target Uniprot ID
p23944
Target, Subunit, Species Alpha-1D adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details
Alpha-1D adrenergic receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Substance Action on Target
Radioligand (/ligand)
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Selectivity is ratio of efficacy of Alpha-1D adrenergic receptor to that of Alpha-1A adrenergic receptor
Biological Species/NCBI Rattus norvegicus ID Substance RN
4357479View in Reaxys
Measurement Parameter
Qualitative
Qualitative value
Not Published
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 96 of 143
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Ratio of IUP ED delta5 to that of MAP ED delta20
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
44/59
2017-11-08 16:39:50
Substance RN
4357479View in Reaxys
Measurement Parameter
Ratio
Quantitative value
0.4
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 97 of 143
Target Name
Alpha-1A adrenergic receptor [rabbit]
Target Synonyms
alpha-1a adrenergic receptor
Target, Subunit, Species Alpha-1A adrenergic receptor [rabbit] Target Mutant/Chimera Details
Alpha-1A adrenergic receptor [rabbit]:Wild
Target Species (Bioactivity)
rabbit
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Efficacy of the compound relative to phenylephrine (PE) to constrict tissue containing the alpha-1A adrenergic receptor in rabbit urethra
Biological Species/NCBI rabbit ID Organs/Tissues
Urethra
Substance RN
4357479View in Reaxys
Measurement Parameter
Activity
Unit
%
Measurement Object
Efficacy
Qualitative value
=
Quantitative value
68
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 98 of 143
Target Name
Alpha-2B adrenergic receptor [Rattus norvegicus]
Target Synonyms
adra2b; alpha-2b adrenergic receptor; alpha-2b adrenoceptor; alpha-2b adrenoreceptor; alpha-2bar
Target Uniprot ID
p19328
Target, Subunit, Species Alpha-2B adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details
Alpha-2B adrenergic receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Substance Action on Target
Radioligand (/ligand)
Bioassay Category
In Vitro (Efficacy)
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
45/59
2017-11-08 16:39:50
Bioassay Details
In vitro binding affinity towards alpha-2B adrenergic receptor of rat neonatal lung in radioligand binding assay
Biological Species/NCBI Rattus norvegicus ID Organs/Tissues
Lung
Substance RN
4357479View in Reaxys
Measurement Parameter
pKi
Quantitative value
6.58
Measurement pX
6.58
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 99 of 143
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Uroselectivity was determined by measuring effective dose required for 20 mmHg increase of mean arterial pressure (MAP) in vivo in dog
Biological Species/NCBI dog ID Substance RN
4357479View in Reaxys
Measurement Parameter
Activity
Unit
nM/kg
Measurement Object
Change in ED20
Qualitative value
=
Quantitative value
330
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 100 of 143 Target Name
Alpha-1D adrenergic receptor [Rattus norvegicus]
Target Synonyms
adra1a (alpha-1d adrenergic receptor); adra1d; alpha-1a adrenergic receptor (alpha-1d adrenergic receptor); alpha-1d adrenergic receptor; alpha-1d adrenoceptor; alpha-1d adrenoreceptor; ra42
Target Uniprot ID
p23944
Target, Subunit, Species Alpha-1D adrenergic receptor [Rattus norvegicus] Target Mutant/Chimera Details
Alpha-1D adrenergic receptor [Rattus norvegicus]:Wild
Target Species (Bioactivity)
Rattus norvegicus
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Efficacy of the compound relative to phenylephrine (PE) constrict tissue containing the alpha-1D adrenergic receptor in rat aorta
Biological Species/NCBI Rattus norvegicus ID Cells/Cell Lines
Aortic cell
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
46/59
2017-11-08 16:39:50
Substance RN
4357479View in Reaxys
Measurement Parameter
Activity
Unit
%
Measurement Object
Efficacy
Qualitative value
=
Quantitative value
91
Altenbach, Robert J.; Khilevich, Albert; Kolasa, Teodozyj; Rohde, Jeffrey J.; Bhatia, Pramila A.; Patel, Meena V.; Searle, Xenia B.; Yang, Fan; Bunnelle, William H.; Tietje, Karin; Bayburt, Erol K.; Carroll, William A.; Meyer, Michael D.; Henry, Rodger; Buckner, Steven A.; Kuk, Jane; Daza, Anthony V.; Milicic, Ivan V.; Cain, John C.; Kang, Chae H.; Ireland, Lynne M.; Carr, Tracy L.; Miller, Thomas R.; Hancock, Arthur A.; Nakane, Masaki; Esbenshade, Timothy A.; Brune, Michael E.; O'Neill, Alyssa B.; Gauvin, Donna M.; Katwala, Sweta P.; Holladay, Mark W.; Brioni, Jorge D.; Sullivan, James P.; Journal of Medicinal Chemistry; vol. 47; nb. 12; (2004); p. 3220 - 3235, View in Reaxys 101 of 143 Bioassay Category Bioassay Details
Toxicity/Safety Pharmacology Lethal dose of the compound in mouse after oral administration
Biological Species/NCBI Mus musculus ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
oral administration
Qualitative Results
150
Measurement Parameter
LD50
Unit
mg/kg
Quantitative value
150
BOISSIER; SIMON; FICHELLE; HERVOUET; Thérapie; vol. 20; (1965); p. 297 - 309, View in Reaxys 102 of 143 Bioassay Category Bioassay Details
Toxicity/Safety Pharmacology Lowest lethal dose of the compound in mouse after intravenous administration
Biological Species/NCBI Mus musculus ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
intravenous administration
Qualitative Results
275
Measurement Parameter
LDLo
Unit
mg/kg
Measurement Object
Lowest lethal dose
Quantitative value
275
Quarterly journal of pharmacy and pharmacology; vol. 9; (1936); p. 203, View in Reaxys 103 of 143 Bioassay Category Bioassay Details
Pharmacokinetic For oral doses
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
65 ± 10
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
47/59
2017-11-08 16:39:50
Measurement Parameter
Excretion
Unit
%
Quantitative value
65
Goodman & Gilman's The Pharmacological Basis of Therapeutics, 9th ed., 1996; (1996), View in Reaxys 104 of 143 Bioassay Category Bioassay Details
Metabolism/Transport CL/F,Varea/F and half-life for multiple dosing studies
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
4.1 ± 0.9
Measurement Parameter
Vd
Unit
L/kg
Quantitative value
4.1
Goodman & Gilman's The Pharmacological Basis of Therapeutics, 9th ed., 1996; (1996), View in Reaxys 105 of 143 Bioassay Category Bioassay Details
Toxicity/Safety Pharmacology Dose given intraperitonially causes marked potentiation of the hepatic necrosis induced by acetaminophen in the rat
Biological Species/NCBI Rattus norvegicus ID Substance RN
4357479View in Reaxys
Qualitative Results
200
Measurement Parameter
TD
Unit
mg/kg
Quantitative value
200
Goodman & Gilman's The Pharmacological Basis of Therapeutics, 9th ed., 1996; (1996), View in Reaxys 106 of 143 Bioassay Category Bioassay Details
Metabolism/Transport CL/F,Varea/F and half-life for multiple dosing studies
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
4.7 ± 0.4
Measurement Parameter
t1/2 el
Unit
hour
Quantitative value
4.7
Goodman & Gilman's The Pharmacological Basis of Therapeutics, 9th ed., 1996; (1996), View in Reaxys 107 of 143 Bioassay Category Bioassay Details
Pharmacokinetic Oral availability
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
oral administration
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
48/59
2017-11-08 16:39:50
Qualitative Results
>70
Measurement Parameter
F(%)
Unit
%
Measurement Object
Bioavailability
Quantitative value
70
Goodman & Gilman's The Pharmacological Basis of Therapeutics, 9th ed., 1996; (1996), View in Reaxys 108 of 143 Bioassay Category Bioassay Details
Pharmacokinetic Peak plasma concentrations attained after administartion
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
1-2
Measurement Parameter
Tmax
Unit
hour
Quantitative value
1.5
Goodman & Gilman's The Pharmacological Basis of Therapeutics, 9th ed., 1996; (1996), View in Reaxys 109 of 143 Bioassay Category Bioassay Details
Metabolism/Transport CL/F,Varea/F and half-life for multiple dosing studies
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
10 ± 3
Measurement Parameter
Cl
Unit
mL/min/kg
Quantitative value
10
Goodman & Gilman's The Pharmacological Basis of Therapeutics, 9th ed., 1996; (1996), View in Reaxys 110 of 143
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Intrinsic activity calculated as ratio between the maximal response elicited by the compound and (-)norepinephrine
Biological Species/NCBI Rattus norvegicus ID Organs/Tissues
Vas deferens
Substance RN
4357479View in Reaxys
Measurement Parameter
IA (%)
Unit
%
Measurement Object
Maximal response
Quantitative value
0.2
Antonio DELGADO; David MAULEON; Gloria ROSELL; Ricardo GRANADOS; European journal of medicinal chemistry; vol. 23; (1988); p. 31 - 38, View in Reaxys 111 of 143
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Tested for beta1-blocking activity in isolated guinea pig left atria
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
49/59
2017-11-08 16:39:50
Biological Species/NCBI guinea pig ID Substance RN
4357479View in Reaxys
Measurement Parameter
pA2
Measurement Object
beta1-blocking activity
Quantitative value
6.56
Measurement pX
6.56
Antonio DELGADO; David MAULEON; Gloria ROSELL; Ricardo GRANADOS; European journal of medicinal chemistry; vol. 23; (1988); p. 31 - 38, View in Reaxys 112 of 143
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Tested for beta2-blocking activity in isolated guinea pig tracheal chains
Biological Species/NCBI guinea pig ID Substance RN
4357479View in Reaxys
Measurement Parameter
pA2
Measurement Object
beta2-blocking activity
Quantitative value
5.43
Measurement pX
5.43
Antonio DELGADO; David MAULEON; Gloria ROSELL; Ricardo GRANADOS; European journal of medicinal chemistry; vol. 23; (1988); p. 31 - 38, View in Reaxys 113 of 143
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Effective concentration required to show alpha-agonistic activity in isolated rat vas deferens
Biological Species/NCBI Rattus norvegicus ID Organs/Tissues
Vas deferens
Substance RN
4357479View in Reaxys
Measurement Parameter
EC50
Unit
M
Measurement Object
Alpha-agonistic activity
Qualitative value
=
Quantitative value
4.16E-05
Measurement pX
4.38
Antonio DELGADO; David MAULEON; Gloria ROSELL; Ricardo GRANADOS; European journal of medicinal chemistry; vol. 23; (1988); p. 31 - 38, View in Reaxys 114 of 143
Target Name
Phenylethanolamine N-methyltransferase [taurine cattle]
Target Synonyms
noradrenaline n-methyltransferase; phenylethanolamine n-methyltransferase; pnmt; pnmtase
Target Uniprot ID
p10938
Target, Subunit, Species Phenylethanolamine N-methyltransferase [taurine cattle] Target Mutant/Chimera Details
Phenylethanolamine N-methyltransferase [taurine cattle]:Wild
Target Species (Bioactivity)
taurine cattle
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
50/59
2017-11-08 16:39:50
Substance Action on Target
Radioligand (/ligand)
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
In vitro binding affinity of compound towards bovine adrenal Phenylethanolamine N-Methyltransferase
Biological Species/NCBI taurine cattle ID Substance RN
4357479View in Reaxys
Measurement Parameter
Ki
Unit
nM
Qualitative value
=
Quantitative value
2440000
Measurement pX
2.61
Grunewald; Ye; Journal of Medicinal Chemistry; vol. 31; nb. 10; (1988); p. 1984 - 1986, View in Reaxys 115 of 143
Target Name
Phenylethanolamine N-methyltransferase [taurine cattle]
Target Synonyms
noradrenaline n-methyltransferase; phenylethanolamine n-methyltransferase; pnmt; pnmtase
Target Uniprot ID
p10938
Target, Subunit, Species Phenylethanolamine N-methyltransferase [taurine cattle] Target Mutant/Chimera Details
Phenylethanolamine N-methyltransferase [taurine cattle]:Wild
Target Species (Bioactivity)
taurine cattle
Substance Action on Target
Radioligand (/ligand)
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
In vitro binding affinity of compound towards bovine adrenal Phenylethanolamine N-Methyltransferase
Biological Species/NCBI taurine cattle ID Substance RN
4357479View in Reaxys
Measurement Parameter
Ki
Unit
nM
Qualitative value
=
Quantitative value
2980000
Measurement pX
2.53
Grunewald; Ye; Journal of Medicinal Chemistry; vol. 31; nb. 10; (1988); p. 1984 - 1986, View in Reaxys 116 of 143
Target Name
Phenylethanolamine N-methyltransferase [taurine cattle]
Target Synonyms
noradrenaline n-methyltransferase; phenylethanolamine n-methyltransferase; pnmt; pnmtase
Target Uniprot ID
p10938
Target, Subunit, Species Phenylethanolamine N-methyltransferase [taurine cattle] Target Mutant/Chimera Details
Phenylethanolamine N-methyltransferase [taurine cattle]:Wild
Target Species (Bioactivity)
taurine cattle
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
51/59
2017-11-08 16:39:50
Substance Action on Target
Radioligand (/ligand)
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
In vitro binding affinity of compound towards bovine adrenal Phenylethanolamine N-Methyltransferase
Biological Species/NCBI taurine cattle ID Substance RN
4357479View in Reaxys
Measurement Parameter
Ki
Unit
nM
Qualitative value
=
Quantitative value
3700000
Measurement pX
2.43
Grunewald; Ye; Journal of Medicinal Chemistry; vol. 31; nb. 10; (1988); p. 1984 - 1986, View in Reaxys 117 of 143
Target Name
Phenylethanolamine N-methyltransferase [taurine cattle]
Target Synonyms
noradrenaline n-methyltransferase; phenylethanolamine n-methyltransferase; pnmt; pnmtase
Target Uniprot ID
p10938
Target, Subunit, Species Phenylethanolamine N-methyltransferase [taurine cattle] Target Mutant/Chimera Details
Phenylethanolamine N-methyltransferase [taurine cattle]:Wild
Target Species (Bioactivity)
taurine cattle
Substance Action on Target
Radioligand (/ligand)
Bioassay Category
In Vitro (Efficacy)
Bioassay Details
In vitro binding affinity of compound towards bovine adrenal Phenylethanolamine N-Methyltransferase
Biological Species/NCBI taurine cattle ID Substance RN
4357479View in Reaxys
Measurement Parameter
Km
Unit
nM
Qualitative value
=
Quantitative value
1310000
Measurement pX
2.88
Grunewald; Ye; Journal of Medicinal Chemistry; vol. 31; nb. 10; (1988); p. 1984 - 1986, View in Reaxys 118 of 143
Bioassay Category
In Vivo (Animal models)
Bioassay Details
Effect on blood pressure was determined in anaesthetized dog at 3x10e-7 moles/Kg administered intravenously; Increase in blood pressure
Biological Species/NCBI dog ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
intravenous administration
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
52/59
2017-11-08 16:39:50
Measurement Parameter
Activity
Measurement Object
Blood Pressure
Qualitative value
ND
ALLES; FAIRCHILD; JENSEN; Journal of medicinal and pharmaceutical chemistry; vol. 3; (1961); p. 323 - 352, View in Reaxys 119 of 143
Bioassay Category
In Vivo (Animal models)
Bioassay Details
Motor activity was evaluated in mice at a dose of 40 mg/Kg administered subcutaneously; Increased activity
Biological Species/NCBI Mus musculus ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
subcutaneous administration
Measurement Parameter
Activity
Measurement Object
Motor activity
Qualitative value
ND
ALLES; FAIRCHILD; JENSEN; Journal of medicinal and pharmaceutical chemistry; vol. 3; (1961); p. 323 - 352, View in Reaxys 120 of 143 Bioassay Category Bioassay Details
In Vivo (Animal models) Motor activity was evaluated in mice at a dose of 50mg/kg administered subcutaneously; Not active
Biological Species/NCBI Mus musculus ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
subcutaneous administration
Measurement Parameter
Activity
Qualitative value
ND
ALLES; FAIRCHILD; JENSEN; Journal of medicinal and pharmaceutical chemistry; vol. 3; (1961); p. 323 - 352, View in Reaxys 121 of 143 Bioassay Category Bioassay Details
In Vitro (Efficacy) Effect on respiration was determined in anaesthetized dog at 3x10e-7 moles/Kg administered intravenously; Increase in respiration
Biological Species/NCBI dog ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
intravenous administration
Measurement Parameter
Activity
Measurement Object
Increase in respiration
Qualitative value
ND
ALLES; FAIRCHILD; JENSEN; Journal of medicinal and pharmaceutical chemistry; vol. 3; (1961); p. 323 - 352, View in Reaxys 122 of 143 Bioassay Category Bioassay Details
In Vitro (Efficacy) Motor activity was evaluated in mice at a dose of 100mg/kg administered subcutaneously; Active
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
53/59
2017-11-08 16:39:50
Biological Species/NCBI Mus musculus ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
subcutaneous administration
Measurement Parameter
Activity
Qualitative value
ND
ALLES; FAIRCHILD; JENSEN; Journal of medicinal and pharmaceutical chemistry; vol. 3; (1961); p. 323 - 352, View in Reaxys 123 of 143 Bioassay Category Bioassay Details
In Vitro (Efficacy) Lag time in normal humans on day 1 upon single oral administration of Dexatrim controlled-release (CR) caplet
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
Tlag
Unit
hour
Measurement Object
Lag time
Qualitative value
=
Quantitative value
0.394
Shargel; Silverman; Cohen; Brisson; Dennis; Biopharmaceutics and Drug Disposition; vol. 11; nb. 7; (1990); p. 569 - 583, View in Reaxys 124 of 143 Bioassay Category Bioassay Details
Pharmacokinetic Time to reach Cmax in normal humans on day 1 upon single oral administration of Dexatrim controlled-release (CR) caplet
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
4.5 +/- 0.26
Measurement Parameter
Tmax
Unit
hour
Quantitative value
4.5
Shargel; Silverman; Cohen; Brisson; Dennis; Biopharmaceutics and Drug Disposition; vol. 11; nb. 7; (1990); p. 569 - 583, View in Reaxys 125 of 143 Bioassay Category Bioassay Details
Pharmacokinetic Mean area under concentration time curve in normal humans on day 1 upon oral administration of the solution 3 times a day
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
1.716 +/- 0.0903
Measurement Parameter
AUC
Unit
µg.h/mL
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
54/59
2017-11-08 16:39:50
Quantitative value
1.716
Shargel; Silverman; Cohen; Brisson; Dennis; Biopharmaceutics and Drug Disposition; vol. 11; nb. 7; (1990); p. 569 - 583, View in Reaxys 126 of 143 Bioassay Category Bioassay Details
Pharmacokinetic Maximum plasma concentration in normal humans on day 1 upon oral administration of the solution 3 times a day
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
0.126 +/- 0.0058
Measurement Parameter
Cmax
Unit
µg/mL
Quantitative value
0.126
Shargel; Silverman; Cohen; Brisson; Dennis; Biopharmaceutics and Drug Disposition; vol. 11; nb. 7; (1990); p. 569 - 583, View in Reaxys 127 of 143 Bioassay Category Bioassay Details
Pharmacokinetic Elimination half life in normal humans on day 1 upon oral administration of the solution 3 times a day
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
oral administration
Qualitative Results
3.73 +/- 1.21
Measurement Parameter
t1/2 el
Unit
hour
Quantitative value
3.73
Shargel; Silverman; Cohen; Brisson; Dennis; Biopharmaceutics and Drug Disposition; vol. 11; nb. 7; (1990); p. 569 - 583, View in Reaxys 128 of 143 Bioassay Category Bioassay Details
Pharmacokinetic Maximum plasma concentration in normal humans on day 1 upon single oral administration of Dexatrim controlled-release (CR) caplet
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
0.143 +/- 0.0135
Measurement Parameter
Cmax
Unit
µg/mL
Quantitative value
0.143
Shargel; Silverman; Cohen; Brisson; Dennis; Biopharmaceutics and Drug Disposition; vol. 11; nb. 7; (1990); p. 569 - 583, View in Reaxys 129 of 143 Bioassay Category Bioassay Details
Pharmacokinetic Maximum plasma concentration in normal humans on day 4 upon oral administration of the solution 3 times a day
Biological Species/NCBI Human ID
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
55/59
2017-11-08 16:39:50
Substance RN
4357479View in Reaxys
Qualitative Results
0.143 +/- 0.0087
Measurement Parameter
Cmax
Unit
µg/mL
Quantitative value
0.143
Shargel; Silverman; Cohen; Brisson; Dennis; Biopharmaceutics and Drug Disposition; vol. 11; nb. 7; (1990); p. 569 - 583, View in Reaxys 130 of 143 Bioassay Category Bioassay Details
Pharmacokinetic Mean area under concentration time curve at steady state in normal humans on day 4 upon single oral administration of Dexatrim controlled-release (CR) caplet
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
1.832 +/- 0.101
Measurement Parameter
AUC
Unit
µg.h/mL
Quantitative value
1.832
Shargel; Silverman; Cohen; Brisson; Dennis; Biopharmaceutics and Drug Disposition; vol. 11; nb. 7; (1990); p. 569 - 583, View in Reaxys 131 of 143 Bioassay Category Bioassay Details
Metabolism/Transport Absorption rate constant in normal humans on day 1 upon single oral administration of Dexatrim controlled-release (CR) caplet
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
0.488 +/- 0.182
Measurement Parameter
kabs
Unit
h-1
Quantitative value
0.488
Shargel; Silverman; Cohen; Brisson; Dennis; Biopharmaceutics and Drug Disposition; vol. 11; nb. 7; (1990); p. 569 - 583, View in Reaxys 132 of 143 Bioassay Category Bioassay Details
Metabolism/Transport Absorption rate constant in normal humans on day 1 upon oral administration of the solution 3 times a day
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
2.87 +/- 1.51
Measurement Parameter
kabs
Unit
h-1
Quantitative value
2.87
Shargel; Silverman; Cohen; Brisson; Dennis; Biopharmaceutics and Drug Disposition; vol. 11; nb. 7; (1990); p. 569 - 583, View in Reaxys 133 of 143 Bioassay Category
Pharmacokinetic
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
56/59
2017-11-08 16:39:50
Bioassay Details
Time to reach Cmax in normal humans on day 4 upon oral administration of the solution 3 times a day
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
1.33 +/- 0.09
Measurement Parameter
Tmax
Unit
hour
Quantitative value
1.33
Shargel; Silverman; Cohen; Brisson; Dennis; Biopharmaceutics and Drug Disposition; vol. 11; nb. 7; (1990); p. 569 - 583, View in Reaxys 134 of 143 Bioassay Category Bioassay Details
Pharmacokinetic Time to reach Cmax in normal humans on day 1 upon oral administration of the solution 3 times a day
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
1.25 +/- 0.08
Measurement Parameter
Tmax
Unit
hour
Quantitative value
1.25
Shargel; Silverman; Cohen; Brisson; Dennis; Biopharmaceutics and Drug Disposition; vol. 11; nb. 7; (1990); p. 569 - 583, View in Reaxys 135 of 143 Bioassay Category Bioassay Details
Pharmacokinetic Time to reach Cmax in normal humans on day 4 upon single oral administration of Dexatrim controlled-release (CR) caplet
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
4.17 +/- 0.17
Measurement Parameter
Tmax
Unit
hour
Quantitative value
4.17
Shargel; Silverman; Cohen; Brisson; Dennis; Biopharmaceutics and Drug Disposition; vol. 11; nb. 7; (1990); p. 569 - 583, View in Reaxys 136 of 143 Bioassay Category Bioassay Details
Pharmacokinetic Elimination half life in normal humans on day 1 upon single oral administration of Dexatrim controlled-release (CR) caplet
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
oral administration
Qualitative Results
5.84 +/- 1.66
Measurement Parameter
t1/2 el
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
57/59
2017-11-08 16:39:50
Unit
hour
Quantitative value
5.84
Shargel; Silverman; Cohen; Brisson; Dennis; Biopharmaceutics and Drug Disposition; vol. 11; nb. 7; (1990); p. 569 - 583, View in Reaxys 137 of 143 Bioassay Category Bioassay Details
In Vivo (Animal models) Lag time in normal humans on day 1 upon oral administration of the solution 3 times a day
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
oral administration
Measurement Parameter
Tlag
Unit
hour
Measurement Object
Lag time
Qualitative value
=
Quantitative value
0.325
Shargel; Silverman; Cohen; Brisson; Dennis; Biopharmaceutics and Drug Disposition; vol. 11; nb. 7; (1990); p. 569 - 583, View in Reaxys 138 of 143 Bioassay Category Bioassay Details
Pharmacokinetic Mean area under concentration time curve at steady state in normal humans on day 4 upon oral administration of the solution 3 times a day
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
2.014 +/- 0.116
Measurement Parameter
AUC
Unit
µg.h/mL
Quantitative value
2.014
Shargel; Silverman; Cohen; Brisson; Dennis; Biopharmaceutics and Drug Disposition; vol. 11; nb. 7; (1990); p. 569 - 583, View in Reaxys 139 of 143 Bioassay Category Bioassay Details
Pharmacokinetic Maximum plasma concentration in normal humans on day 4 upon single oral administration of Dexatrim controlled-release (CR) caplet
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
0.151 +/- 0.0065
Measurement Parameter
Cmax
Unit
µg/mL
Quantitative value
0.151
Shargel; Silverman; Cohen; Brisson; Dennis; Biopharmaceutics and Drug Disposition; vol. 11; nb. 7; (1990); p. 569 - 583, View in Reaxys 140 of 143 Bioassay Category Bioassay Details
Pharmacokinetic Mean area under concentration time curve in normal humans on day 1 upon single oral administration of Dexatrim controlled-release (CR) caplet
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
58/59
2017-11-08 16:39:50
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
1.651 +/- 0.127
Measurement Parameter
AUC
Unit
µg.h/mL
Quantitative value
1.651
Shargel; Silverman; Cohen; Brisson; Dennis; Biopharmaceutics and Drug Disposition; vol. 11; nb. 7; (1990); p. 569 - 583, View in Reaxys 141 of 143 Bioassay Category Bioassay Details
In Vivo (Animal models) Chemorelease activity of compound was tested in mice heart by injecting norepinephrine-3H into tail vein of mice after sc administration of compound at 10 mg/kg
Biological Species/NCBI Mus musculus ID Substance RN
4357479View in Reaxys
Substance Route of Adm.
subcutaneous administration
Measurement Parameter
%
Unit
%
Measurement Object
Norepinephrine-3H release
Qualitative value
=
Quantitative value
68
Concomitants: Compound name
[3H]Norepinephrine
Concomitants: Compound role
RAD
Daly; Creveling; Witkop; Journal of medicinal chemistry; vol. 9; nb. 3; (1966); p. 273 - 280, View in Reaxys 142 of 143 Bioassay Category Bioassay Details
Pharmacokinetic Peak effect
Biological Species/NCBI Human ID Substance RN
4357479View in Reaxys
Qualitative Results
1-4
Measurement Parameter
Tmax
Unit
hour
Quantitative value
2.5
Daly; Creveling; Witkop; Journal of medicinal chemistry; vol. 9; nb. 3; (1966); p. 273 - 280, View in Reaxys 143 of 143 Bioassay Category
In Vitro (Efficacy)
Bioassay Details
Compound was tested for its ability to induce weight loss; weakly effective
Substance RN
4357479View in Reaxys
Measurement Parameter
Activity
Qualitative value
ND
Donald R.Gehlert; David J. Goldstein; Philip A. Hipskind; Annual reports in medicinal chemistry; vol. 31; (1996); p. 201 - 210, View in Reaxys
Copyright © 2017 Reed Elsevier Properties SA. All rights reserved. Authorized use only. Reaxys® and the Reaxys® trademark are owned and protected by Reed Elsevier Properties SA and used under license.
59/59
2017-11-08 16:39:50