Details of the Drug

General Information of Drug (ID: DM8KMEG)

Drug Name

6-Methyl-2-p-tolyl-chromen-4-one

Synonyms

88952-74-3; CHEMBL133226; 6-methyl-2-(4-methylphenyl)chromen-4-one; 6-methyl-2-(4-methylphenyl)-4H-chromen-4-one; 4H-1-Benzopyran-4-one, 6-methyl-2-(4-methylphenyl)-; 6-Methyl-2-p-tolyl-chromen-4-one; ACMC-20lfbb; AC1LFDMB; 4',6-Dimethylflavone; BAS 01121723; Oprea1_016511; Oprea1_052018; SCHEMBL10024074; CTK3A4544; DTXSID70354567; MolPort-000-450-864; ZINC265995; STK888587; AKOS000603226; MCULE-9170697941; NCGC00320777-01; 6-methyl-2-(p-tolyl)-4H-chromen-4-one; ST45177106; AB00086662-03; AB00086662-01

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)

4.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C17H14O2
IUPAC Name: 6-methyl-2-(4-methylphenyl)chromen-4-one
Canonical SMILES: CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)C
InChI: InChI=1S/C17H14O2/c1-11-3-6-13(7-4-11)17-10-15(18)14-9-12(2)5-8-16(14)19-17/h3-10H,1-2H3
InChIKey: RDMTVGAVRNFIEE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 776388
CAS Number: 88952-74-3
TTD ID: D0E5WS

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.