Details of the Drug

General Information of Drug (ID: DM8YGOI)

Drug Name

Quinolinic Acid

Synonyms

quinolinic acid; Pyridine-2,3-dicarboxylic acid; 2,3-pyridinedicarboxylic acid; 89-00-9; quinolinate; Pyridine-2,3-dicarboxylate; 339155-13-4; UNII-F6F0HK1URN; AI3-63017; 2,3-PyridinedicarboxylicAcid; EINECS 201-874-8; pyridine-2,3-carboxylate; NSC 13127; F6F0HK1URN; CHEMBL286204; 2,3-pyridine dicarboxylic acid; CHEBI:16675; GJAWHXHKYYXBSV-UHFFFAOYSA-N; 2,3-Pyridinedicarboxylic acid, 99%; Pyridin-2,3-dicarbonsaeure; 2,3-pyridinedicarboxylate; SMR000112287; 2,3-pyridindicarbons; SR-01000075472; HSDB 7511; PubChem8035

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)

167.12

Logarithm of the Partition Coefficient (xlogp)

0.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C7H5NO4
IUPAC Name: pyridine-2,3-dicarboxylic acid
Canonical SMILES: C1=CC(=C(N=C1)C(=O)O)C(=O)O
InChI: InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKey: GJAWHXHKYYXBSV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1066
ChEBI ID: CHEBI:16675
CAS Number: 89-00-9
UNII: F6F0HK1URN
DrugBank ID: DB01796
TTD ID: D0L8CF

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mycobacterium Nicotinate-nucleotide pyrophosphorylase (MycB nadC)	TTH29K0	NADC_MYCTU	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Aryl hydrocarbon receptor (AHR)	OTFE4EYE	AHR_HUMAN	Gene/Protein Processing	[2]
Fibroblast growth factor 1 (FGF1)	OT8I64X8	FGF1_HUMAN	Protein Interaction/Cellular Processes	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2	Indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors activate the aryl hydrocarbon receptor. Toxicol Appl Pharmacol. 2017 May 15;323:74-80. doi: 10.1016/j.taap.2017.03.012. Epub 2017 Mar 20.
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.