sparsentan

Ligand id: 8448

Name: sparsentan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 122.48
Molecular weight 592.27
XLogP 6.24
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4-[(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl]-2-(ethoxymethyl)phenyl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)benzenesulfonamide
International Nonproprietary Names
INN number INN
10092 sparsentan
Synonyms
DARA-a (Dual Acting Receptor Antagonist of angiotension and endothelin receptors) | BMS-346567 | compound 7 [PMID 15634011] | RE-021 | retrophin
Database Links
BindingDB Ligand 50175523
CAS Registry No. 254740-64-2
ChEMBL Ligand CHEMBL539423
PubChem CID 10257882
Search Google for chemical match using the InChIKey WRFHGDPIDHPWIQ-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey WRFHGDPIDHPWIQ-UHFFFAOYSA-N
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Comments
Sparsentan (RE-021) is a selective dual-acting receptor antagonist with affinity for endothelin (A type) and angiotensin II receptors (Type 1) [2-3]. Sparsentan combines the active moieties of the selective AT1 receptor antagonist irbesartan and a selective ETA receptor antagonist (see ligand 91 in [2]).