Details of the Drug

General Information of Drug (ID: DM6A9UR)

• Drug Name: Flavonoid derivative 7
• Synonyms: PMID26161698-Compound-6
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 448.4
  Logarithm of the Partition Coefficient (xlogp); 0.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 7
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C21H20O11
  IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-8-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
  Canonical SMILES: CC1C(C(C(C(O1)OC2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O)O
  InChI: InChI=1S/C21H20O11/c1-7-13(25)15(27)17(29)21(30-7)32-19-11(24)6-10(23)12-14(26)16(28)18(31-20(12)19)8-2-4-9(22)5-3-8/h2-7,13,15,17,21-25,27-29H,1H3
  InChIKey: PJZKCQPCHMMPJZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 74978523
  TTD ID: D0KP8N

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cyclin-dependent kinase 5 (CDK5)	TTL4Q97	CDK5_HUMAN	Inhibitor	[1]

References

• [1] Cyclin-dependent kinase inhibitors for cancer therapy: a patent review (2009 - 2014).Expert Opin Ther Pat. 2015;25(9):953-70.