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]
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
ChEBI ID
CHEMBL490794
TTD ID
D0QL1V
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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]
Molecular Interaction Atlas (MIA) 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.