Details of the Drug

General Information of Drug (ID: DMS6EDU)

• Drug Name: PMID26394986-Compound-53
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 274.65
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C14H7ClO4
  IUPAC Name: 2-acetyl-7-chlorobenzo[f][1]benzofuran-4,9-dione
  Canonical SMILES: CC(=O)C1=CC2=C(O1)C(=O)C3=C(C2=O)C=CC(=C3)Cl
  InChI: InChI=1S/C14H7ClO4/c1-6(16)11-5-10-12(17)8-3-2-7(15)4-9(8)13(18)14(10)19-11/h2-5H,1H3
  InChIKey: RVIUPSHRLLQFOH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25226944
  TTD ID: D0V7HS

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.