Details of the Drug

General Information of Drug (ID: DMP4T87)

Drug Name

TRANSTORINE

Synonyms

kynurenic acid; 492-27-3; 4-Hydroxyquinoline-2-carboxylic acid; 13593-94-7; Kynurenate; Quinurenic acid; 4-oxo-1,4-dihydroquinoline-2-carboxylic acid; Transtorine; Kynuronic acid; Kinurenic acid; 4-Hydroxyquinaldic acid; 4-Hydroxy-2-quinolincarboxylic acid; 1,4-Dihydro-4-oxoquinoline-2-carboxylic acid; 2-Quinolinecarboxylic acid, 4-hydroxy-; 4-Hydroxyquinaldinic acid; 4-Hydroxy-2-quinolinecarboxylic acid; Quinaldic acid, 4-hydroxy-; NSC 58973; 4-oxo-1H-quinoline-2-carboxylic acid; UNII-H030S2S85J; KYNA; CCRIS 4428; NSC58973

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

189.17

Logarithm of the Partition Coefficient (xlogp)

1.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C10H7NO3
IUPAC Name: 4-oxo-1H-quinoline-2-carboxylic acid
Canonical SMILES: C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O
InChI: 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: HCZHHEIFKROPDY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3845
ChEBI ID: CHEBI:18344
CAS Number: 492-27-3
DrugBank ID: DB11937
TTD ID: D01SHB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate receptor ionotropic NMDA 1 (NMDAR1)	TTLD29N	NMDZ1_HUMAN	Inhibitor	[2]
Glutamate receptor ionotropic NMDA 2A (NMDAR2A)	TTKJEMQ	NMDE1_HUMAN	Inhibitor	[2]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B)	TTN9D8E	NMDE2_HUMAN	Inhibitor	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 1A1 (CYP1A1)	OTE4EFH8	CP1A1_HUMAN	Gene/Protein Processing	[3]
Fibroblast growth factor 1 (FGF1)	OT8I64X8	FGF1_HUMAN	Protein Interaction/Cellular Processes	[4]
Interleukin-6 (IL6)	OTUOSCCU	IL6_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2918).
2	3-(2-carboxyindol-3-yl)propionic acid derivatives: antagonists of the strychnine-insensitive glycine receptor associated with the N-methyl-D-aspart... J Med Chem. 1990 Nov;33(11):2944-6.
3	Kynurenic acid is a potent endogenous aryl hydrocarbon receptor ligand that synergistically induces interleukin-6 in the presence of inflammatory signaling. Toxicol Sci. 2010 May;115(1):89-97.
4	Kynurenic acid inhibits the release of the neurotrophic fibroblast growth factor (FGF)-1 and enhances proliferation of glia cells, in vitro. Cell Mol Neurobiol. 2005 Sep;25(6):981-93. doi: 10.1007/s10571-005-8469-y.