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

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
ADP-induced aggregation of platelets is an in vitro tool used as a surrogate for PGI2 receptor activation.
Selexipag inhibits aggregation of human platelets with an IC50 of 6400nM [1], whereas MRE-269 (the active metabolite) has a much lower IC50 of 200nM [1].
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
IP receptor Hs Agonist Agonist 6.6 pKi - 2
pKi 6.6 (Ki 2.6x10-7 M) [2]
IP receptor Rn Agonist Agonist 5.7 pKi - 2
pKi 5.7 (Ki 2.1x10-6 M) [2]