Details of the Drug

General Information of Drug (ID: DME94KO)

• Drug Name: Trecetilide fumarate
• Synonyms: PNU-108342E; Trecetilide fumarate < Prop INNM; (-)-N-[4-[4-[N-Ethyl-N-(6-fluoro-6-methylheptyl)amino]-1(S)-hydroxybutyl]phenyl]methanesulfonamide fumarate (2:1)

Indication

Disease Entry	ICD 11	Status	REF
Cardiac arrhythmias	BC9Z	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight; 949.3
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 30
  Hydrogen Bond Donor Count; 6
  Hydrogen Bond Acceptor Count; 16
• Chemical Identifiers:
  Formula: C46H78F2N4O10S2
  IUPAC Name: (E)-but-2-enedioic acid;N-[4-[(1S)-4-[ethyl-(6-fluoro-6-methylheptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
  Canonical SMILES: CCN(CCCCCC(C)(C)F)CCC[C@@H](C1=CC=C(C=C1)NS(=O)(=O)C)O.CCN(CCCCCC(C)(C)F)CCC[C@@H](C1=CC=C(C=C1)NS(=O)(=O)C)O.C(=C/C(=O)O)\\C(=O)O
  InChI: InChI=1S/2C21H37FN2O3S.C4H4O4/c2*1-5-24(16-8-6-7-15-21(2,3)22)17-9-10-20(25)18-11-13-19(14-12-18)23-28(4,26)27;5-3(6)1-2-4(7)8/h2*11-14,20,23,25H,5-10,15-17H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+/t2*20-;/m00./s1
  InChIKey: ODFOUAATRQAOLG-MMSVOLSESA-N
• Cross-matching ID:
  PubChem CID: 6441132
  CAS Number: 191349-60-7
  TTD ID: D01UUW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Potassium channel unspecific (KC)	TT1VOHK	NOUNIPROTAC	Blocker	[1]

References

• [1] IKr channel blockers: novel antiarrhythmic agents. Curr Med Chem Cardiovasc Hematol Agents. 2003 Oct;1(3):203-23.