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
CAS Number: 670-95-1
DrugBank ID: DB03254
TTD ID: D0J9DD

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)

MIA Detail

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.