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
ChEBI ID
CHEMBL168080
TTD ID
D0G4WF
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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.