siponimod


SMILES CCc1cc(ccc1CN1CC(C1)C(=O)O)/C(=N/OCc1ccc(c(c1)C(F)(F)F)C1CCCCC1)/C
InChIKey KIHYPELVXPAIDH-HNSNBQBZSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 516.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 7EW1 7EO4 7EVY 7TD4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CRF1 CRFR1 Human Corticotropin-releasing factor B1 pKi 8.49 8.49 8.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CRF1 CRFR1 Human Corticotropin-releasing factor B1 pIC50 7.82 7.82 7.82 ChEMBL