kynurenic acid

Ligand id: 2918

Name: kynurenic acid

Abbreviated name: KYNA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 66.4
Molecular weight 189.04
XLogP 1.4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
4-oxo-1H-quinoline-2-carboxylic acid
Synonyms
transtorine
Database Links
BindingDB Ligand 50001262
CAS Registry No. 492-27-3 (source: Scfinder)
ChEBI CHEBI:18344
ChEMBL Ligand CHEMBL299155
PubChem CID 3845
RCSB PDB Ligand KYA
Search Google for chemical match using the InChIKey HCZHHEIFKROPDY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HCZHHEIFKROPDY
Search UniChem for chemical match using the InChIKey HCZHHEIFKROPDY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HCZHHEIFKROPDY
Wikipedia Kynurenic acid
Comments
Kynurenic acid is a by-product of the kynurenine pathway, the main route for the non-protein metabolism of tryptophan