Details of the Drug

General Information of Drug (ID: DMJVGUZ)

Drug Name
5-Benzyl-1H-pyrazole-3-carboxylic acid
Synonyms
5-benzyl-1H-pyrazole-3-carboxylic Acid; 1H-Pyrazole-3-carboxylic acid, 5-(phenylmethyl)-; CHEMBL247317; 595610-51-8; 3-benzyl-1H-pyrazole-5-carboxylic acid; SCHEMBL12703568; MolPort-035-831-532; MolPort-022-664-582; ZINC13526594; BDBM50216537; AKOS026575568
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) 202.21
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C11H10N2O2
IUPAC Name
5-benzyl-1H-pyrazole-3-carboxylic acid
Canonical SMILES
C1=CC=C(C=C1)CC2=CC(=NN2)C(=O)O
InChI
InChI=1S/C11H10N2O2/c14-11(15)10-7-9(12-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,12,13)(H,14,15)
InChIKey
YYEOXPLPYNYVRY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11041813
ChEBI ID
CHEMBL247317
TTD ID
D00TPG
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA 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.