Details of the Drug

General Information of Drug (ID: DM5CUSJ)

• Drug Name: Sulfonamide derivative 15
• Synonyms: PMID28460551-Compound-7
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 333.5
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C17H19NO2S2
  IUPAC Name: N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)thiophene-2-sulfonamide
  Canonical SMILES: C1CC2CC3=CC=CC=C3CC1C2NS(=O)(=O)C4=CC=CS4
  InChI: InChI=1S/C17H19NO2S2/c19-22(20,16-6-3-9-21-16)18-17-14-7-8-15(17)11-13-5-2-1-4-12(13)10-14/h1-6,9,14-15,17-18H,7-8,10-11H2
  InChIKey: IFPBWXNUXWIDSN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11964527
  TTD ID: D0K2YO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-secretase subunit APH-1A/1B (APH-1)	TTZS04O	APH1A_HUMAN-APH1B_HUMAN	Inhibitor	[1]

References

• [1] Cancer stem cell (CSC) inhibitors: a review of recent patents (2012-2015).Expert Opin Ther Pat. 2017 Jul;27(7):753-761.