Details of the Drug

General Information of Drug (ID: DMWGF9R)

Drug Name

4'-cyano-3-(imidazolylmethyl)-7-methoxyflavone

Synonyms

CHEMBL377626; BDBM50191601; 4''-cyano-3-(imidazolylmethyl)-7-methoxyflavone

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)

357.4

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C21H15N3O3
IUPAC Name: 4-[3-(imidazol-1-ylmethyl)-7-methoxy-4-oxochromen-2-yl]benzonitrile
Canonical SMILES: COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC=C(C=C3)C#N)CN4C=CN=C4
InChI: InChI=1S/C21H15N3O3/c1-26-16-6-7-17-19(10-16)27-21(15-4-2-14(11-22)3-5-15)18(20(17)25)12-24-9-8-23-13-24/h2-10,13H,12H2,1H3
InChIKey: MFAAEVRNWGIQOT-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Lead optimization providing a series of flavone derivatives as potent nonsteroidal inhibitors of the cytochrome P450 aromatase enzyme. J Med Chem. 2006 Jul 27;49(15):4777-80.