Details of the Drug

General Information of Drug (ID: DM4XILF)

Drug Name

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

Synonyms

CHEMBL449343; 1-(1-Biphenyl-4-yl-butyl)-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)

276.4

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C19H20N2
IUPAC Name: 1-[1-(4-phenylphenyl)butyl]imidazole
Canonical SMILES: CCCC(C1=CC=C(C=C1)C2=CC=CC=C2)N3C=CN=C3
InChI: InChI=1S/C19H20N2/c1-2-6-19(21-14-13-20-15-21)18-11-9-17(10-12-18)16-7-4-3-5-8-16/h3-5,7-15,19H,2,6H2,1H3
InChIKey: SLKWPFBZPUBKHY-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.