selexipag

Ligand id: 7552

Name: selexipag

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 13
Topological polar surface area 109.87
Molecular weight 496.21
XLogP 6.24
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2015))
Is prodrug? Yes
Active form MRE-269
IUPAC Name
2-[4-[[5,6-di(phenyl)pyrazin-2-yl]-propan-2-ylamino]butoxy]-N-methylsulfonylacetamide
International Nonproprietary Names
INN number INN
9231 selexipag
Synonyms
ACT-293987 | NS-304 | Uptravi®
Database Links
CAS Registry No. 475086-01-2
ChEMBL Ligand CHEMBL238804
GtoPdb PubChem SID 223365888
PubChem CID 9913767
Search Google for chemical match using the InChIKey QXWZQTURMXZVHJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QXWZQTURMXZVHJ
Search PubMed clinical trials selexipag
Search PubMed titles selexipag
Search PubMed titles/abstracts selexipag
Search UniChem for chemical match using the InChIKey QXWZQTURMXZVHJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QXWZQTURMXZVHJ
Wikipedia Selexipag
Comments
Selexipag represents a first-in-class selective, long-acting, oral prostacyclin IP receptor agonist. This compound is a prodrug, with the active molecule being MRE-269.