Details of the Drug

General Information of Drug (ID: DMLIJYS)

Drug Name
1-(9-Phenyl-9H-fluoren-9-yl)1H-imidazole
Synonyms CHEMBL223874; 1H-Imidazole, 1-(9-phenyl-9H-fluoren-9-yl)-; 27608-12-4; Fluorenyl deriv. 14; BDBM9465; CTK0J2505; DTXSID90432952
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) 308.4
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C22H16N2
IUPAC Name
1-(9-phenylfluoren-9-yl)imidazole
Canonical SMILES
C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)N5C=CN=C5
InChI
InChI=1S/C22H16N2/c1-2-8-17(9-3-1)22(24-15-14-23-16-24)20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-16H
InChIKey
DNCKVRPGVMTVNH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9926623
CAS Number
27608-12-4
TTD ID
D02SIT

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.