Details of the Drug

General Information of Drug (ID: DMUVAIF)

Drug Name
ISONICOTINIC ACID
Synonyms
ISONICOTINIC ACID; 55-22-1; Pyridine-4-carboxylic acid; 4-Pyridinecarboxylic acid; 4-Picolinic acid; 4-Carboxypyridine; p-Pyridinecarboxylic acid; gamma-Picolinic acid; gamma-Pyridinecarboxylic acid; Acide iso-nicotinique; 1,4-Dihydroisonicotinic acid; Acide iso-nicotinique [French]; UNII-Y8SYN761TQ; AI3-19239; .gamma.-Picolinic acid; NSC 1483; Isonicotinic acid, 99%; EINECS 200-228-2; Y8SYN761TQ; CHEBI:6032; TWBYWOBDOCUKOW-UHFFFAOYSA-N; MFCD00006429; g-picolinic acid; Isonicotinic Acids; isonicotinicacid; isonicotonic acid; MN1
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) 123.11
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C6H5NO2
IUPAC Name
pyridine-4-carboxylic acid
Canonical SMILES
C1=CN=CC=C1C(=O)O
InChI
InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
InChIKey
TWBYWOBDOCUKOW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5922
ChEBI ID
CHEMBL1203
CAS Number
55-22-1
UNII
Y8SYN761TQ
DrugBank ID
DB16884
TTD ID
D0W5CQ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA 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
Nicotinic acid receptor (HCAR2) TTWNV8U HCAR2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Pyrazole derivatives as partial agonists for the nicotinic acid receptor. J Med Chem. 2003 Aug 28;46(18):3945-51.