Details of the Drug

General Information of Drug (ID: DMC2V5J)

• Drug Name: Mirisetron maleate
• Synonyms: SEC-579; WAY-100579; WAY-SEC-579

Indication

Disease Entry	ICD 11	Status	REF
Anxiety disorder	6B00-6B0Z	Discontinued in Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight; 509.6
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 5
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 8
• Chemical Identifiers:
  Formula: C28H35N3O6
  IUPAC Name: (Z)-but-2-enedioic acid;1-cyclohexyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-4-oxoquinoline-3-carboxamide
  Canonical SMILES: CN1[C@@H]2CC[C@H]1CC(C2)NC(=O)C3=CN(C4=CC=CC=C4C3=O)C5CCCCC5.C(=C\\C(=O)O)\\C(=O)O
  InChI: InChI=1S/C24H31N3O2.C4H4O4/c1-26-18-11-12-19(26)14-16(13-18)25-24(29)21-15-27(17-7-3-2-4-8-17)22-10-6-5-9-20(22)23(21)28;5-3(6)1-2-4(7)8/h5-6,9-10,15-19H,2-4,7-8,11-14H2,1H3,(H,25,29);1-2H,(H,5,6)(H,7,8)/b;2-1-/t16?,18-,19+
  InChIKey: OQIHDZMOAKTHKW-WPJOOPQGSA-N
• Cross-matching ID:
  PubChem CID: 6435818
  CAS Number: 148611-75-0
  TTD ID: D0YT6Z

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 3 receptor (5HT3R)	TTNXLKE	NOUNIPROTAC	Modulator	[2]

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003649)
• [2] The effects of 5-HT3 receptor antagonists on cognitive performance in aged monkeys. Neurobiol Aging. 1997 Jan-Feb;18(1):21-8.