General Information of Drug (ID: DMWDEFC)

Drug Name
Zatosetron maleate
Synonyms LY-277359 maleate; Zatosetron maleate < Rec INNM; Endo-5-Chloro-2,2-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-2,3-dihydrobenzofuran-7-carboxamide maleate
Indication
Disease Entry ICD 11 Status REF
Anxiety disorder 6B00-6B0Z Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 464.9
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Chemical Identifiers
Formula
C23H29ClN2O6
IUPAC Name
(Z)-but-2-enedioic acid;5-chloro-2,2-dimethyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3H-1-benzofuran-7-carboxamide
Canonical SMILES
CC1(CC2=C(O1)C(=CC(=C2)Cl)C(=O)NC3C[C@H]4CC[C@@H](C3)N4C)C.C(=C\\C(=O)O)\\C(=O)O
InChI
InChI=1S/C19H25ClN2O2.C4H4O4/c1-19(2)10-11-6-12(20)7-16(17(11)24-19)18(23)21-13-8-14-4-5-15(9-13)22(14)3;5-3(6)1-2-4(7)8/h6-7,13-15H,4-5,8-10H2,1-3H3,(H,21,23);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13?,14-,15+;
InChIKey
HAFQATMFFHYNPN-BSLJCGBVSA-N
Cross-matching ID
PubChem CID
6918153
CAS Number
123482-23-5
TTD ID
D00IJQ

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Concise Dictionary of Pharmacological Agents: Properties and Synonyms, Dr. Ian Morton,I.K. Morton,Judith M. Hall. Page(298).
2 Pilot study of zatosetron (LY277359) maleate, a 5-hydroxytryptamine-3 antagonist, in the treatment of anxiety. J Clin Psychopharmacol. 1999 Apr;19(2):125-31.