Bioactive Compound Details

BioIDbio198485
NameQUINALDIC ACID
ChEMBL IDCHEMBL1160559
Molecular FormulaC10H7NO2
Molecular Weight173.17
Molecular Weight (Monoisotopic)173.0477
TypeSmall molecule
Max Phase--
Target IDTar81
Target NameNone
SynonymsQuinoline-2-Carboxylic Acid|Quinoline-2-Carboxylic Acid Anion
SmilesO=C(O)c1ccc2ccccc2n1
InchiInChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)
Inchi KeyLOAUVZALPPNFOQ-UHFFFAOYSA-N
Molecular SpeciesACID
Targets15.0
Bioactivities16.0
Np Likeness Score-0.64
Records Key['29', 'ZT0725', 'G11', '3b', 'Q7', '19', 'Quinaldic acid', 'Entry no. 6-2']
Records Name['Quinoline-2-carboxylic acid anion', 'quinoline-2-carboxylic acid', 'quinoline-2-carboxylic acid', 'quinoline-2-carboxylic acid', 'Quinaldic acid', 'quinoline-2-carboxylic acid', 'Quinaldic acid', 'quinoline-2-carboxylic acid']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure