Details of the Drug

General Information of Drug (ID: DMFB4M5)

Drug Name

Benzyl-biphenyl-4-ylmethyl-imidazol-1-yl-amine

Synonyms

CHEMBL490794; N-benzyl-N-[(4-phenylphenyl)methyl]imidazol-1-amine; Benzyl-biphenyl-4-ylmethyl-imidazol-1-yl-amine; AC1LA79Y; BDBM50263717; 1H-Imidazol-1-amine, N-([1,1'-biphenyl]-4-ylmethyl)-N-(phenylmethyl)-

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): 1

Molecular Weight (mw)

339.4

Logarithm of the Partition Coefficient (xlogp)

5.2

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C23H21N3
IUPAC Name: N-benzyl-N-[(4-phenylphenyl)methyl]imidazol-1-amine
Canonical SMILES: C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C3=CC=CC=C3)N4C=CN=C4
InChI: InChI=1S/C23H21N3/c1-3-7-20(8-4-1)17-26(25-16-15-24-19-25)18-21-11-13-23(14-12-21)22-9-5-2-6-10-22/h1-16,19H,17-18H2
InChIKey: PHOWNTQCWGWFEX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 508445
TTD ID: D0QL1V

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aromatase (CYP19A1)	TTSZLWK	CP19A_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors. Bioorg Med Chem. 2008 Sep 15;16(18):8349-58.