Details of the Drug

General Information of Drug (ID: DML5I9K)

• Drug Name: PMID26394986-Compound-50
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 256.209
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C14H8O5
  IUPAC Name: 2-acetyl-8-hydroxybenzo[f][1]benzofuran-4,9-dione
  Canonical SMILES: CC(=O)C1=CC2=C(O1)C(=O)C3=C(C2=O)C=CC=C3O
  InChI: InChI=1S/C14H8O5/c1-6(15)10-5-8-12(17)7-3-2-4-9(16)11(7)13(18)14(8)19-10/h2-5,16H,1H3
  InChIKey: MYDAXHYLQBNETF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9881541
  CAS Number: 123297-91-6
  TTD ID: D09BOL

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.