satavaptan

Ligand id: 2199

Name: satavaptan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 132.09
Molecular weight 643.29
XLogP 2.97
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-{[(1s,4s)-5'-Ethoxy-4-[2-(4-morpholinyl)ethoxy]-2'-oxospiro[cyclohexane-1,3'-indol]-1'(2'H)-yl]sulfonyl}-3-methoxy-N-(2-methyl-2-propanyl)benzamide
International Nonproprietary Names
INN number INN
8591 satavaptan
Synonyms
SR 121463A | SR-121463B | SR-121463F | SR121463A
Database Links
CAS Registry No. 185913-78-4 (source: Scifinder)
PubChem CID 158348
Search Google for chemical match using the InChIKey QKXJWFOKVQWEDZ-VCCCEUOBSA-N
Search Google for chemicals with the same backbone QKXJWFOKVQWEDZ
Search PubMed clinical trials satavaptan
Search PubMed titles satavaptan
Search PubMed titles/abstracts satavaptan
Search UniChem for chemical match using the InChIKey QKXJWFOKVQWEDZ-VCCCEUOBSA-N
Search UniChem for chemicals with the same backbone QKXJWFOKVQWEDZ
Wikipedia Satavaptan
Comments
This compound was being tested in clinical trials for the prevention of ascites, but in 2008 the pharmaceutical company withdrew its application for marketing authorisation from the European Medicines Agency (EMA). There is some ambiguity in the literature and on other databases as to the exact stereochemistry of Satavaptan. The structure shown here matches the INN document, while the compound is represented on ChEMBL by CHEMBL2107777 and on PubChem by CID 158348.