Details of the Drug

General Information of Drug (ID: DM261B0)

Drug Name

2-Imidazol-1-yl-7-methoxy-3-phenyl-chromen-4-one

Synonyms

CHEMBL192306; azole isoflavone analog 2a; BDBM9891; 2-(1H-imidazol-1-yl)-7-methoxy-3-phenyl-4H-chromen-4-one; 2-(1H-Imidazol-1-yl)-7-methoxy-3-phenyl-4H-1-benzopyran4-one; 2-(1h-imidazol-1-yl)-7-methoxy-3-phenyl-4h-1-benzo pyran-4-one

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)

318.3

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H14N2O3
IUPAC Name: 2-imidazol-1-yl-7-methoxy-3-phenylchromen-4-one
Canonical SMILES: COC1=CC2=C(C=C1)C(=O)C(=C(O2)N3C=CN=C3)C4=CC=CC=C4
InChI: InChI=1S/C19H14N2O3/c1-23-14-7-8-15-16(11-14)24-19(21-10-9-20-12-21)17(18(15)22)13-5-3-2-4-6-13/h2-12H,1H3
InChIKey: XDJIKPUCOXIQTJ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 23644623
TTD ID: D0W4IB

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	Synthesis and characterization of azole isoflavone inhibitors of aromatase. Bioorg Med Chem. 2005 Jun 2;13(12):4063-70.