Details of the Drug

General Information of Drug (ID: DMZI7O1)

Drug Name
2-phenyl-1H-imidazole-4-carboxylic acid
Synonyms
2-Phenyl-1H-imidazole-4-carboxylic acid; 77498-98-7; 2-phenyl-1H-imidazole-5-carboxylic acid; 1H-Imidazole-5-carboxylic acid, 2-phenyl-; CHEMBL1232889; 1H-Imidazole-4-carboxylic acid, 2-phenyl-; UNII-HGH57KDY8T; HGH57KDY8T; 2-phenylimidazole-4-carboxylic acid; G14; 2-phenyl-3H-imidazole-4-carboxylic Acid; AC1MC8EL; SCHEMBL1080850; CTK4I4538; CTK2I0991; XCAXKZJNJCKTQH-UHFFFAOYSA-N; MolPort-000-146-264; HMS3604D08; ZINC164985; CS-D0591; ALBB-012261; CP-011; BDBM50329857; STK897779; ANW-57703; AKOS007930827; AKOS005173647; NE61009
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) 188.18
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H8N2O2
IUPAC Name
2-phenyl-1H-imidazole-5-carboxylic acid
Canonical SMILES
C1=CC=C(C=C1)C2=NC=C(N2)C(=O)O
InChI
InChI=1S/C10H8N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChIKey
XCAXKZJNJCKTQH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2738139
CAS Number
77498-98-7
DrugBank ID
DB07803
TTD ID
D0XF6C

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Staphylococcus Beta-lactamase (Stap-coc blaZ) TTHI19T BLAC_STAAU Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.