General
Preferred name
INDOLE-2-CARBOXYLIC ACID
Synonyms
1H-indole-2-carboxylic acid ()
Indol-2-carboxylic acid ()
P&D ID
PD001397
CAS
1477-50-5
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Indole-2-carboxylic acid is a strong inhibitor of lipid peroxidation. Indole-2-carboxylic acid (I2CA) specifically and competitively inhibits the potentiation by glycine of NMDA-gated current[1][2].
DESCRIPTION Indole-2-carboxylic acid is a strong inhibitor of lipid peroxidation. Indole-2-carboxylic acid specifically and competitively inhibits the potentiation by glycine of NMDA-gated current. (Enamine Bioactive Compounds)
DESCRIPTION Inhibition constant against recombinant human Steroid 5-alpha-reductase type 2 expressed in CHO cells; Inhibition of human DAO (TargetMol Bioactive Compound Library)
Compound Sets
8
DrugMatrix
Enamine Bioactive Compounds
EBC-03263
EU-OPENSCREEN Bioactive Compound Library
EOS102144
MedChem Express Bioactive Compound Library
HY-I0096
Selleckchem Bioactive Compound Library
indole-2-carboxylic-acid
TargetMol Bioactive Compound Library
0599-0787
The Spectrum Collection
ZINC Tool Compounds
ZINC000000145536
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
161.05
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
2
cLogP
1.87
TPSA
53.09
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
HIV
HIV Integrase
iGluR
Lipoxygenase
Endogenous Metabolite
Pathway
Anti-infection
Membrane Transporter/Ion Channel
Metabolic Enzyme/Protease
Neuronal Signaling
Source data