Details of the Drug

General Information of Drug (ID: DM40RS3)

Drug Name

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

Synonyms

3'-HYDROXY-6-METHYLFLAVONE; 468060-75-5; SCHEMBL5424662; CHEMBL336559; CTK6C0232; BNOQFZSTTRNHCN-UHFFFAOYSA-N; ZINC13491192; 3'-hydroxy-6-methylflavone, AldrichCPR; RT-008155; 4H-1-Benzopyran-4-one, 2-(3-hydroxyphenyl)-6-methyl-

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)

252.26

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H12O3
IUPAC Name: 2-(3-hydroxyphenyl)-6-methylchromen-4-one
Canonical SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC(=CC=C3)O
InChI: InChI=1S/C16H12O3/c1-10-5-6-15-13(7-10)14(18)9-16(19-15)11-3-2-4-12(17)8-11/h2-9,17H,1H3
InChIKey: BNOQFZSTTRNHCN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11075942
TTD ID: D04XOT

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.