Bioactive Compound Details

BioIDbio198472
NameINDOLE-2-CARBOXYLIC ACID
ChEMBL IDCHEMBL278390
Molecular FormulaC9H7NO2
Molecular Weight161.16
Molecular Weight (Monoisotopic)161.0477
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsIndol-2-Carboxylic Acid
SmilesO=C(O)c1cc2ccccc2[nH]1
InchiInChI=1S/C9H7NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-5,10H,(H,11,12)
Inchi KeyHCUARRIEZVDMPT-UHFFFAOYSA-N
Molecular SpeciesACID
Targets29.0
Bioactivities38.0
Np Likeness Score-0.46
Records Key['20', '33', '1', '6', '10f', '18', 'SID93576772', '3', 'SID26748605', '614', '6a', 'INDOLE-2-CARBOXYLIC_acid', 'Indole-2-carboxylic acid', 'INDOLE-2-CARBOXYLIC ACID', '12', '8', 'A4', 'INDOLE-2-CARBOXYLIC_acid', 'EFA18']
Records Name['1H-Indole-2-carboxylic acid', '1H-Indole-2-carboxylic acid', '1H-Indole-2-carboxylic acid', '1H-Indole-2-carboxylic acid', '1H-Indole-2-carboxylic acid', 'Indol-2-carboxylic acid', 'SID93576772', '1H-indole-2-carboxylic acid', 'SID26748605', None, 'indole-2-carboxylic acid', 'INDOLE-2-CARBOXYLIC_acid', 'Indole-2-carboxylic acid', 'INDOLE-2-CARBOXYLIC ACID', '1H-indole-2-carboxylic acid', '1H-indole-2-carboxylic acid', '1H-indole-2-carboxylic acid', 'INDOLE-2-CARBOXYLIC_acid', 'C0154468']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure