ponesimod


SMILES CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C
InChIKey LPAUOXUZGSBGDU-ULCCENQXSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 460.1

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
ETA EDNRA Rat Endothelin A pIC50 8.52 8.52 8.52 ChEMBL
ETB EDNRB Human Endothelin A pIC50 4.15 4.15 4.15 ChEMBL