Details of the Drug

General Information of Drug (ID: DMV6GIC)

• Drug Name: PMID26394986-Compound-51
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 334.3
  Logarithm of the Partition Coefficient (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C19H10O4S
  IUPAC Name: 2-benzoyl-8-hydroxybenzo[f][1]benzothiole-4,9-dione
  Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC3=C(S2)C(=O)C4=C(C3=O)C=CC=C4O
  InChI: InChI=1S/C19H10O4S/c20-13-8-4-7-11-15(13)18(23)19-12(17(11)22)9-14(24-19)16(21)10-5-2-1-3-6-10/h1-9,20H
  InChIKey: FLMLYZNKLBTMFK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118707758
  TTD ID: D09SYX

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.