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
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB1 CNR1 Human Cannabinoid A pKi 7.92 7.92 7.92 ChEMBL
CB1 CNR1 Human Cannabinoid A pKd 8.5 8.5 8.5 ChEMBL
CB2 CNR2 Human Cannabinoid A pKi 5.0 5.0 5.0 PDSP Ki database
CB1 CNR1 Human Cannabinoid A pKi 7.92 7.92 7.92 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database