azasetron   Click here for help

GtoPdb Ligand ID: 2285

Synonyms: Y-25130
Approved drug
azasetron is an approved drug
Compound class: Synthetic organic
Comment: Azasetron is a serotonin 5-HT3 receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 61.88
Molecular weight 349.12
XLogP 1.24
No. Lipinski's rules broken 0
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Canonical SMILES Clc1cc2N(C)C(=O)COc2c(c1)C(=O)NC1CN2CCC1CC2
Isomeric SMILES Clc1cc2N(C)C(=O)COc2c(c1)C(=O)NC1CN2CCC1CC2
InChI InChI=1S/C17H20ClN3O3/c1-20-14-7-11(18)6-12(16(14)24-9-15(20)22)17(23)19-13-8-21-4-2-10(13)3-5-21/h6-7,10,13H,2-5,8-9H2,1H3,(H,19,23)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
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International Nonproprietary Names Click here for help
INN number INN
7005 azasetron
Synonyms Click here for help
Database Links Click here for help
ChEMBL Ligand CHEMBL1598608
DrugCentral Ligand 267
GtoPdb PubChem SID 135649974
PubChem CID 2264
Search Google for chemical match using the InChIKey WUKZPHOXUVCQOR-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey WUKZPHOXUVCQOR-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey WUKZPHOXUVCQOR-UHFFFAOYSA-N
Wikipedia Azasetron