Details of the Drug

General Information of Drug (ID: DMMCNVO)

• Drug Name: US9694002, 129
• Synonyms: SCHEMBL15535910; BDBM70974; US9694002, 129
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 482.5
  Topological Polar Surface Area (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C21H23FN2O6S2
  IUPAC Name: 4-[[1-(benzenesulfonyl)azetidin-3-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
  Canonical SMILES: CS(=O)(=O)NC(=O)C1=C(C=C(C(=C1)C2CC2)OCC3CN(C3)S(=O)(=O)C4=CC=CC=C4)F
  InChI: InChI=1S/C21H23FN2O6S2/c1-31(26,27)23-21(25)18-9-17(15-7-8-15)20(10-19(18)22)30-13-14-11-24(12-14)32(28,29)16-5-3-2-4-6-16/h2-6,9-10,14-15H,7-8,11-13H2,1H3,(H,23,25)
  InChIKey: SPEKXWKFVSKSOS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 90015925
  TTD ID: D05YDJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
SCN1A messenger RNA (SCN1A mRNA)	TTANOZH	SCN1A_HUMAN	Inhibitor	[1]

References

• [1] Substituted benzamides and methods of use thereof. US9694002.
• [2] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 578).