Details of the Drug

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

Drug ADMET Endpoint Profile (DAE)^NEW

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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)

MIA Detail

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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.