Details of the Drug

General Information of Drug (ID: DMPVCDN)

Drug Name

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

Synonyms

89112-85-6; 2-(2-methoxyphenyl)-6-methyl-4H-chromen-4-one; CHEMBL334355; 2-(2-methoxyphenyl)-6-methylchromen-4-one; 4H-1-Benzopyran-4-one, 2-(2-methoxyphenyl)-6-methyl-; F3139-0622; ACMC-20lhvv; AC1LIFWU; 2'-Methoxy-6-methylflavone; CTK3A1211; DTXSID40358996; QEIHFNZSIRWEBX-UHFFFAOYSA-N; MolPort-000-450-861; ZINC521727; STK788037; AKOS002182005; MCULE-9515838114; NCGC00339312-01; ST4146766

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)

3.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H14O3
IUPAC Name: 2-(2-methoxyphenyl)-6-methylchromen-4-one
Canonical SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3OC
InChI: InChI=1S/C17H14O3/c1-11-7-8-16-13(9-11)14(18)10-17(20-16)12-5-3-4-6-15(12)19-2/h3-10H,1-2H3
InChIKey: QEIHFNZSIRWEBX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 930492
CAS Number: 89112-85-6
TTD ID: D0E8IH

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.