sitaxsentan

Ligand id: 3950

Name: sitaxsentan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 144.35
Molecular weight 454.01
XLogP 2.76
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes
Withdrawn drug? Yes
IUPAC Name
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
International Nonproprietary Names
INN number INN
7952 sitaxentan
Synonyms
TBC11251 / TBC-11251 | Thelin®
Database Links
CAS Registry No. 184036-34-8 (source: Scifinder)
ChEMBL Ligand CHEMBL282724
DrugBank Ligand DB06268
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
Search UniChem for chemical match using the InChIKey PHWXUGHIIBDVKD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PHWXUGHIIBDVKD
Wikipedia Sitaxentan
Comments
Sitaxentan sodium (as a component of the product Thelin) appears to be approved for use in only Canada and the UK.