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]
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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
TTD ID: D07TIJ

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.