sitaxsentan   Click here for help

GtoPdb Ligand ID: 3950

Synonyms: TBC11251 / TBC-11251 | Thelin®
Approved drug
sitaxsentan is an approved drug
Compound class: Synthetic organic
Comment: Sitaxentan sodium (as a component of the product Thelin) appears to be approved for use in only Canada and the UK.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 144.35
Molecular weight 454.01
XLogP 3.04
No. Lipinski's rules broken 0
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Canonical SMILES O=C(c1sccc1S(=O)(=O)Nc1onc(c1Cl)C)Cc1cc2OCOc2cc1C
Isomeric SMILES O=C(c1sccc1S(=O)(=O)Nc1onc(c1Cl)C)Cc1cc2OCOc2cc1C
InChI InChI=1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
Withdrawn drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7952 sitaxentan
Synonyms Click here for help
TBC11251 / TBC-11251 | Thelin®
Database Links Click here for help
Specialist databases
GPCRdb Ligand sitaxsentan
Other databases
CAS Registry No. 184036-34-8 (source: Scifinder)
ChEMBL Ligand CHEMBL282724
DrugBank Ligand DB06268
DrugCentral Ligand 3548
GtoPdb PubChem SID 178100777
PubChem CID 216235
Search Google for chemical match using the InChIKey PHWXUGHIIBDVKD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PHWXUGHIIBDVKD
Search PubMed clinical trials sitaxentan
Search PubMed titles sitaxentan
Search PubMed titles/abstracts sitaxentan
UniChem Compound Search for chemical match using the InChIKey PHWXUGHIIBDVKD-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey PHWXUGHIIBDVKD-UHFFFAOYSA-N
Wikipedia Sitaxentan