Details of the Drug

General Information of Drug (ID: DMBGVEK)

Drug Name

2-(3-Methoxy-phenyl)-6-methyl-chromen-4-one

Synonyms

3'-METHOXY-6-METHYLFLAVONE; CHEMBL131632; 4H-1-Benzopyran-4-one, 2-(3-methoxyphenyl)-6-methyl-; 88952-72-1; ACMC-20lfb9; AC1LVOZ6; CTK3A4546; DTXSID50364725; GPLWNAUILJELBH-UHFFFAOYSA-N; ZINC1933195; AKOS002387234; MB03835; 3'-methoxy-6-methylflavone, AldrichCPR

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)

266.29

Logarithm of the Partition Coefficient (xlogp)

3.9

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H14O3
IUPAC Name: 2-(3-methoxyphenyl)-6-methylchromen-4-one
Canonical SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC(=CC=C3)OC
InChI: InChI=1S/C17H14O3/c1-11-6-7-16-14(8-11)15(18)10-17(20-16)12-4-3-5-13(9-12)19-2/h3-10H,1-2H3
InChIKey: GPLWNAUILJELBH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 1659443
CAS Number: 88952-72-1
TTD ID: D0ER1D

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)

MIA Detail

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.