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]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 167.12
Topological Polar Surface Area (xlogp) 0.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
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
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]
Molecular Interaction Atlas (MIA) 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.