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]

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: CHEMBL299155
CAS Number: 492-27-3
UNII: H030S2S85J
DrugBank ID: DB11937
TTD ID: D01SHB

Drug-Molecule Activity Atlas (DMA)^NEW

Click to Jump to the Detailed DMA Information of This Drug

Drug Pharmacogenomic Perturbation (DPP)^NEW

Click to Jump to the Detailed DPP Information of This Drug

Drug ADMET Endpoint Profile (DAE)^NEW

Click to Jump to the Detailed DAE Information of This Drug

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]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Fibroblast growth factor 1 (FGF1)	OT8I64X8	FGF1_HUMAN	Protein Interaction/Cellular Processes	[3]

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 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.