Details of the Drug

General Information of Drug (ID: DMNJMGK)

Drug Name
1-[(7-Fluoronaphth-2-yl)methyl]-1H-imidazole
Synonyms CHEMBL1098424; 1-[(7-Fluoronaphth-2-yl)methyl]-1H-imidazole
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) 226.25
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H11FN2
IUPAC Name
1-[(7-fluoronaphthalen-2-yl)methyl]imidazole
Canonical SMILES
C1=CC(=CC2=C1C=CC(=C2)F)CN3C=CN=C3
InChI
InChI=1S/C14H11FN2/c15-14-4-3-12-2-1-11(7-13(12)8-14)9-17-6-5-16-10-17/h1-8,10H,9H2
InChIKey
SFBANCVOUQRQEX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46887506
TTD ID
D0P3ND

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 Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). Bioorg Med Chem Lett. 2010 May 15;20(10):3050-64.