Reaxys
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Bioactivities (12)
SigmaAldrich
Reactions (102)
Substances (1)
Structure
Targets (11)
Citations (52)
N° of preparations All Preps | All Reactions
Structure/Compound Data Chemical Name: ethyl 2-methyl-1H-indole-3-carboxylate Reaxys Registry Number: 160517
CAS Registry Number: 53855-47-3 Type of Substance: heterocyclic Molecular Formula: C12H13NO2
Linear Structure Formula: C12H13NO2
Molecular Weight: 203.241 InChI Key: ICXKIKDXKRONLF-UHFFFAOYSA-N
1
44 prep out of 102 reactions.
Available Data
Target
N° of ref.
Druglikeness
Bioactivity
Identification Physical Data (23) Spectra (43)
Show Targets
52
Synthesize | Hide Details Find similar Chemical Names and Synonyms ethyl 2-methyl-1H-indole-3-carboxylate, 2-methyl-1H-indole-3-carboxylic acid ethyl ester, ethyl (2-methylindol-3-yl)carboxylate, ethyl 2-methyl-3indolecarboxylate, ethyl 2-methylindole-3-carboxylate, 3-ethoxycarbonyl-2-methylindole, 2-methyl-indole-3-carboxylic acid ethyl ester Druglikeness Bioactivity In vitro: Efficacy (12) Quantitative Results pX
Parameter
Value (qual)
Value (quant)
Unit
Action on Target
Target
%
<
1
%
Inhibitor
D-amino-acid
Tissue/Organ
Cell
Bioassay
Dose
Effect
Reference (expand all/collapse all)
inhibitory
Patent: WO2007/22501 A...
Inhibition
oxidase [human]:Wild
activity
Title/Abstract Full Text Show Details
MICROBIA, INC.
Patent: WO2007/22501 A2, 2007 ; Title/Abstract Full Text Show Details
Qualitative Information 1 of 11
2 of 11
3 of 11
4 of 11
Effect
inhibitory activity
Target
Prostaglandin G/H synthase 1:Wild
Substance action on target
Inhibitor
Assay Description
Inhibitory activity of the compound against cyclooxygenase-1 was measured using PGH2 production by purified enzyme assay
Results
Not Published
Citation
MICROBIA, INC.
Patent: WO2007/22501 A2, 2007 ; Title/Abstract Full Text Show Details
Effect
inhibitory activity
Target
Prostaglandin G/H synthase 2:Wild
Substance action on target
Inhibitor
Assay Description
Inhibitory activity of the compound against cyclooxygenase-2 was measured using PGH2 production by purified enzyme assay
Results
Not Published
Citation
MICROBIA, INC.
Patent: WO2007/22501 A2, 2007 ; Title/Abstract Full Text Show Details
Effect
inhibitory activity
Target
Prostaglandin G/H synthase 1 [human]:Wild
Substance action on target
Inhibitor
Assay Description
Inhibitory activity of the compound against cyclooxygenase-2 in human blood serum upon incubation for 5 minutes at 4 degree C by human whole blood assay
Results
Not Published
Citation
MICROBIA, INC.
Patent: WO2007/22501 A2, 2007 ; Title/Abstract Full Text Show Details
Effect
binding activity
Target
cannabinoid receptor [human]:Wild
5 of 11
6 of 11
7 of 11
Substance action on target
Radioligand (/ligand)
Assay Description
Binding activity of the compound towards human cannabinoid receptor in CHO cells upon incubation for 1 hour at 30 degree C using 0.2 nM CP 55,940 as radioligand by binbing assay
Results
Not Published
Citation
MICROBIA, INC.
Patent: WO2007/22501 A2, 2007 ; Title/Abstract Full Text Show Details
Effect
binding activity
Target
thromboxane A2 receptor:Wild
Substance action on target
Radioligand (/ligand)
Assay Description
Binding activity of the compound against thromboxane A2 receptor upon incubation for 1 hour at 30 degree C in 25 mM HEPES, 2 mM EDTA, CHAPs buffer using 50,000-70,000 cpm [125I]BOP as radioligand by binding assay
Results
Not Published
Citation
MICROBIA, INC.
Patent: WO2007/22501 A2, 2007 ; Title/Abstract Full Text Show Details
Effect
inhibitory activity
Target
Prostaglandin G/H synthase 2 [human]:Wild + Prostaglandin G/H synthase 1 [human]:Wild
Substance action on target
Inhibitor
Assay Description
Inhibitory activity of the compound against cyclooxygenase-1 in human blood serum upon incubation for 5 minutes at 4 degree C by human whole blood assay
Results
Not Published
Citation
MICROBIA, INC.
Patent: WO2007/22501 A2, 2007 ; Title/Abstract Full Text Show Details
Effect
antagonistic activity
Target
Prostaglandin D2 receptor:Wild
Substance action on target
Antagonist
Assay Description
Antagonistic activity of the compound to against DP-1 receptor upon incubation for 90 minutes at room temperature in EIA buffer by antagonist assay
Results
Not Published
Citation
MICROBIA, INC.
Patent: WO2007/22501 A2, 2007 ;
Title/Abstract Full Text Show Details
8 of 11
9 of 11
10 of 11
11 of 11
Effect
agonistic activity
Target
Prostaglandin D2 receptor:Wild
Substance action on target
Agonist
Assay Description
Agonistic activity of the compound to against DP-1 receptor upon incubation for 90 minutes at room temperature in EIA buffer by agonist assay
Results
Not Published
Citation
MICROBIA, INC.
Patent: WO2007/22501 A2, 2007 ; Title/Abstract Full Text Show Details
Effect
inhibitory activity
Target
Prostaglandin D2 receptor 2:Wild
Substance action on target
Inhibitor
Assay Description
Inhibitory activity of the compound against CRTH2 receptor
Results
Not Published
Citation
MICROBIA, INC.
Patent: WO2007/22501 A2, 2007 ; Title/Abstract Full Text Show Details
Effect
inhibitory activity
Target
Fatty-acid amide hydrolase 1 [human]:Wild
Substance action on target
Inhibitor
Assay Description
Inhibitory activity of the compound against FAAH in human brain homogenate upon incubation for 10 minutes at 37 degree C in 1 mg/mL BSA, 10 mM Tris-HCl, pH 6.5 using [3H]-ethanolamine as radioligand
Results
Not Published
Citation
MICROBIA, INC.
Patent: WO2007/22501 A2, 2007 ; Title/Abstract Full Text Show Details
Effect
binding activity
Target
Ionotropic glutamate NMDA receptor:Wild
Substance action on target
Radioligand (/ligand)
Assay
Binding activity of the compound towards NMDA receptor using [3H]MDL105,519 as radioligand
Description
Identification Physical Data Spectra
Results
Not Published
Citation
MICROBIA, INC.
Patent: WO2007/22501 A2, 2007 ; Title/Abstract Full Text Show Details