Details of the Drug

General Information of Drug (ID: DMH49OD)

Drug Name
1-(9H-fluoren-9-yl)-1H-imidazole
Synonyms
1-(9H-fluoren-9-yl)-1H-imidazole; CHEMBL225447; 35214-35-8; Fluorenyl deriv. 13; AC1MY9SZ; SCHEMBL9633309; BDBM9464; 1-(9H-fluoren-9-yl)imidazole; MolPort-002-538-233; ZINC4645069; STL321422; AKOS022141595; MCULE-5499035128; DA-06525
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) 232.28
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C16H12N2
IUPAC Name
1-(9H-fluoren-9-yl)imidazole
Canonical SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)N4C=CN=C4
InChI
InChI=1S/C16H12N2/c1-3-7-14-12(5-1)13-6-2-4-8-15(13)16(14)18-10-9-17-11-18/h1-11,16H
InChIKey
TULIZIRHYBBLAI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3828439
ChEBI ID
CHEMBL225447
TTD ID
D07TIJ
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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 Fast three dimensional pharmacophore virtual screening of new potent non-steroid aromatase inhibitors. J Med Chem. 2009 Jan 8;52(1):143-50.