Details of the Drug

General Information of Drug (ID: DMSZT9G)

Drug Name

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

Synonyms

CHEMBL131928

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

308.4

Logarithm of the Partition Coefficient (xlogp)

5.1

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C20H20O3
IUPAC Name: 2-(3-butoxyphenyl)-6-methylchromen-4-one
Canonical SMILES: CCCCOC1=CC=CC(=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)C
InChI: InChI=1S/C20H20O3/c1-3-4-10-22-16-7-5-6-15(12-16)20-13-18(21)17-11-14(2)8-9-19(17)23-20/h5-9,11-13H,3-4,10H2,1-2H3
InChIKey: CFRCJBWAEQSCHB-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]

------------------------------------------------------------------------------------

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.