Details of the Drug

General Information of Drug (ID: DMLY4ER)

Drug Name
1-(2-phenoxybenzyl)-1H-imidazole
Synonyms CHEMBL1082760; 1-(2-phenoxybenzyl)-1H-imidazole; SCHEMBL11704850
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) 250.29
Logarithm of the Partition Coefficient (xlogp) 3.1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H14N2O
IUPAC Name
1-[(2-phenoxyphenyl)methyl]imidazole
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2CN3C=CN=C3
InChI
InChI=1S/C16H14N2O/c1-2-7-15(8-3-1)19-16-9-5-4-6-14(16)12-18-11-10-17-13-18/h1-11,13H,12H2
InChIKey
DFVDKHRBBOONAK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46889432
TTD ID
D08TKB

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 Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation. J Med Chem. 2010 Jul 22;53(14):5347-51.