Details of the Drug

General Information of Drug (ID: DMGVE3F)

Drug Name

1-(1-Biphenyl-4-yl-propyl)-1H-imidazole

Synonyms

CHEMBL497500; 1-(1-Biphenyl-4-yl-propyl)-1H-imidazole

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

262.3

Logarithm of the Partition Coefficient (xlogp)

4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C18H18N2
IUPAC Name: 1-[1-(4-phenylphenyl)propyl]imidazole
Canonical SMILES: CCC(C1=CC=C(C=C1)C2=CC=CC=C2)N3C=CN=C3
InChI: InChI=1S/C18H18N2/c1-2-18(20-13-12-19-14-20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14,18H,2H2,1H3
InChIKey: IGUCGOUQZFQHGU-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Steroid 17-alpha-monooxygenase (S17AH)	TTRA5BZ	CP17A_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Steroid 17-alpha-monooxygenase (S17AH)	DTT	CYP17A1	6.87E-01	0.07	0.21

Molecular Expression Atlas (MEA)

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References

1	Synthesis, biological evaluation, and molecular modeling studies of methylene imidazole substituted biaryls as inhibitors of human 17alpha-hydroxyl... Bioorg Med Chem. 2008 Aug 15;16(16):7715-27.