Details of the Drug

General Information of Drug (ID: DM6VPF4)

Drug Name
5,6,7-Trimethyl-2-p-tolyl-chromen-4-one
Synonyms CHEMBL168080; 5,6,7-Trimethyl-2-p-tolyl-chromen-4-one; 4',5,6,7-Tetramethylflavone
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): 0 Molecular Weight (mw) 278.3
Logarithm of the Partition Coefficient (xlogp) 4.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C19H18O2
IUPAC Name
5,6,7-trimethyl-2-(4-methylphenyl)chromen-4-one
Canonical SMILES
CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3C)C)C
InChI
InChI=1S/C19H18O2/c1-11-5-7-15(8-6-11)17-10-16(20)19-14(4)13(3)12(2)9-18(19)21-17/h5-10H,1-4H3
InChIKey
CMMLREBGPOOVPU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44378768
TTD ID
D0G4WF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine A3 receptor (ADORA3) TTJFY5U AA3R_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Interactions of flavonoids and other phytochemicals with adenosine receptors. J Med Chem. 1996 Feb 2;39(3):781-8.