selexipag


SMILES O=C(NS(=O)(=O)C)COCCCCN(c1cnc(c(n1)c1ccccc1)c1ccccc1)C(C)C
InChIKey QXWZQTURMXZVHJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 12
Molecular weight (Da) 496.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
IP PI2R Human Prostanoid A pKi 6.59 6.59 6.59 Guide to Pharmacology
IP PI2R Rat Prostanoid A pKi 5.68 5.68 5.68 Guide to Pharmacology
EP2 PE2R2 Human Prostanoid A pKi 8.28 8.28 8.28 Drug Central
EP4 PE2R4 Human Prostanoid A pKi 8.27 8.27 8.27 Drug Central
IP PI2R Human Prostanoid A pKi 8.11 8.11 8.11 Drug Central
IP PI2R Rat Prostanoid A pKi 8.25 8.25 8.25 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
IP PI2R Rat Prostanoid A pEC50 6.7 6.7 6.7 ChEMBL
IP PI2R Human Prostanoid A pIC50 5.19 6.2 7.21 ChEMBL
IP PI2R Human Prostanoid A pEC50 8.22 8.22 8.22 ChEMBL
DP1 PD2R Human Prostanoid A pEC50 8.15 8.15 8.15 Drug Central
DP1 PD2R Human Prostanoid A pEC50 7.0 7.0 7.0 ChEMBL