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
Physiological/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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P1 S1PR1 Human Lysophospholipid (S1P) A pEC50 9.754999999999999 9.75 9.75 Guide to Pharmacology
S1P3 S1PR3 Human Lysophospholipid (S1P) A pEC50 5.3 5.3 5.3 Guide to Pharmacology
S1P4 S1PR4 Human Lysophospholipid (S1P) A pEC50 6.12 6.12 6.12 Guide to Pharmacology
S1P5 S1PR5 Human Lysophospholipid (S1P) A pEC50 9.01 9.01 9.01 Guide to Pharmacology
S1P5 S1PR5 Human Lysophospholipid (S1P) A pEC50 9.01 9.01 9.01 ChEMBL
S1P2 S1PR2 Human Lysophospholipid (S1P) A pEC50 8.4 8.4 8.4 Drug Central
S1P3 S1PR3 Human Lysophospholipid (S1P) A pEC50 8.52 8.52 8.52 Drug Central
S1P4 S1PR4 Human Lysophospholipid (S1P) A pEC50 8.21 8.21 8.21 Drug Central
S1P1 S1PR1 Human Lysophospholipid (S1P) A pEC50 8.03 8.03 8.03 Drug Central
S1P5 S1PR5 Human Lysophospholipid (S1P) A pEC50 8.05 8.05 8.05 Drug Central
S1P1 S1PR1 Human Lysophospholipid (S1P) A pEC50 9.4 9.4 9.4 ChEMBL
S1P3 S1PR3 Human Lysophospholipid (S1P) A pEC50 5.3 5.3 5.3 ChEMBL
S1P4 S1PR4 Human Lysophospholipid (S1P) A pEC50 6.12 6.12 6.12 ChEMBL