Details of the Drug

General Information of Drug (ID: DMKXZYC)

• Drug Name: PMID28350212-Compound-22
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 391.7
  Logarithm of the Partition Coefficient (xlogp); 3.7
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C9H8ClF6NO3S2
  IUPAC Name: 5-chloro-N-[(2R)-4,4,4-trifluoro-1-hydroxy-3-(trifluoromethyl)butan-2-yl]thiophene-2-sulfonamide
  Canonical SMILES: C1=C(SC(=C1)Cl)S(=O)(=O)N[C@@H](CO)C(C(F)(F)F)C(F)(F)F
  InChI: InChI=1S/C9H8ClF6NO3S2/c10-5-1-2-6(21-5)22(19,20)17-4(3-18)7(8(11,12)13)9(14,15)16/h1-2,4,7,17-18H,3H2/t4-/m0/s1
  InChIKey: PSXOKXJMVRSARX-BYPYZUCNSA-N
• Cross-matching ID:
  PubChem CID: 25159185
  TTD ID: D0D8IZ

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] Gamma secretase inhibitors: a patent review (2013 - 2015).Expert Opin Ther Pat. 2017 Jul;27(7):851-866.