KYA

4-hydroxyquinoline-2-carboxylic acid

Created:	2011-03-15
Last modified:	2021-03-01

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3 entries where KYA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	11

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Chemical Component Summary
Name	4-hydroxyquinoline-2-carboxylic acid
Synonyms	Kynurenic acid
Systematic Name (OpenEye OEToolkits)	4-hydroxyquinoline-2-carboxylic acid
Formula	C₁₀ H₇ N O₃
Molecular Weight	189.167
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1nc2ccccc2c(O)c1
SMILES	CACTVS	3.370	OC(=O)c1cc(O)c2ccccc2n1
SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)c(cc(n2)C(=O)O)O
Canonical SMILES	CACTVS	3.370	OC(=O)c1cc(O)c2ccccc2n1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)c(cc(n2)C(=O)O)O
InChI	InChI	1.03	InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
InChIKey	InChI	1.03	HCZHHEIFKROPDY-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB11937
Name	Kynurenic Acid
Groups	investigational
Description	Kynurenic Acid is under investigation in clinical trial NCT02340325 (FS2 Safety and Tolerability Study in Healthy Volunteers).
Synonyms	Kynurenic Acid
Categories	Excitatory Amino Acid Agents Excitatory Amino Acid Antagonists Heterocyclic Compounds, Fused-Ring Hydroxyquinolines Neurotransmitter Agents Quinolines Xanthurenates
CAS number	492-27-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Aryl hydrocarbon receptor	MNSSSANITYASRKRRKPVQKTVKPIPAEGIKSNPSKRHRDRLNTELDRL...	unknown
G-protein coupled receptor 35	MNGTYNTCGSSDLTWPPAIKLGFYAYLGVLLVLGLLLNSLALWVFCCRMQ...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682