Details of the Drug

General Information of Drug (ID: DMO2F8L)

Drug Name

6-Isopropyl-2-phenyl-chromen-4-one

Synonyms

288401-05-8; 6-ISO-PROPYLFLAVONE; 6-Isopropylflavone; CHEMBL133949; CTK4G2222; DTXSID70658395; ZINC2573996; AKOS030553653; 2-Phenyl-6-(propan-2-yl)-4H-1-benzopyran-4-one

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)

264.3

Logarithm of the Partition Coefficient (xlogp)

4.7

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C18H16O2
IUPAC Name: 2-phenyl-6-propan-2-ylchromen-4-one
Canonical SMILES: CC(C)C1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3
InChI: InChI=1S/C18H16O2/c1-12(2)14-8-9-17-15(10-14)16(19)11-18(20-17)13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKey: APJYDAHXYGPDII-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 44355253
CAS Number: 288401-05-8
TTD ID: D0U1PE

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.