Details of the Drug

General Information of Drug (ID: DM5UNBW)

Drug Name
4-Phenylimidazole
Synonyms
4-Phenylimidazole; 670-95-1; 4-PHENYL-1H-IMIDAZOLE; 5-Phenyl-1H-imidazole; 4(5)-Phenylimidazole; 1H-Imidazole, 4-phenyl-; Imidazole, 4-phenyl-; 5-phenylimidazole; 4-PHENYL IMIDAZOLE; CHEMBL14145; XHLKOHSAWQPOFO-UHFFFAOYSA-N; MFCD00005197; NSC-195337; F1918-0054; PIM; 4-phenyl-1h-imidazol; 4-phenyl-imidazole; EINECS 211-580-1; PubChem7224; NSC 195337; ACMC-209nxp; 4-phenylimidazole, 4-PI; 4-Phenylimidazole, 97%; 1H-Imidazole, 5-phenyl-; AC1L2C7W; AC1Q4YD1; SCHEMBL37563; KSC696A2D; Imidazole, 4-phenyl- (8CI); AMBZ0133; CTK5J6021
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) 144.17
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C9H8N2
IUPAC Name
5-phenyl-1H-imidazole
Canonical SMILES
C1=CC=C(C=C1)C2=CN=CN2
InChI
InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
InChIKey
XHLKOHSAWQPOFO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
69590
ChEBI ID
CHEMBL14145
CAS Number
670-95-1
UNII
8VQ67XR7XY
DrugBank ID
DB03254
TTD ID
D0J9DD
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
Indoleamine 2,3-dioxygenase 1 (IDO1) TTZJYKH I23O1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Structure based development of phenylimidazole-derived inhibitors of indoleamine 2,3-dioxygenase. J Med Chem. 2008 Aug 28;51(16):4968-77.