Details of the Drug

General Information of Drug (ID: DMUHOF4)

Drug Name

6-Ethyl-2-phenyl-chromen-4-one

Synonyms

CHEMBL134732; 288401-00-3; 6-Ethylflavone; CTK4G2218; DTXSID80451374; ZINC2573995; AKOS030553658

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)

250.29

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C17H14O2
IUPAC Name: 6-ethyl-2-phenylchromen-4-one
Canonical SMILES: CCC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3
InChI: InChI=1S/C17H14O2/c1-2-12-8-9-16-14(10-12)15(18)11-17(19-16)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKey: ILUYTTQELSQWNA-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-aminobutyric acid receptor (GAR)	TTNJYV2	NOUNIPROTAC	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Refinement and evaluation of a pharmacophore model for flavone derivatives binding to the benzodiazepine site of the GABA(A) receptor. J Med Chem. 2002 Sep 12;45(19):4188-201.