Details of the Drug

General Information of Drug (ID: DMT7ZEL)

• Drug Name: Flavonoid derivative 3
• Synonyms: PMID26394986-Compound-47
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 300.26
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C16H12O6
  IUPAC Name: 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
  Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
  InChI: InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3
  InChIKey: MBNGWHIJMBWFHU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5281612
  ChEBI ID: CHEBI:4630
  CAS Number: 520-34-3
  DrugBank ID: DB11259
  TTD ID: D0EV5U

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Signal transducer and activator of transcription 3 (STAT3)	TTH8FZW	STAT3_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Signal transducer and activator of transcription 3 (STAT3)	DTT	STAT3	6.50E-03	-0.12	-0.21

References

• [1] A STAT inhibitor patent review: progress since 2011.Expert Opin Ther Pat. 2015;25(12):1397-421.