CHEMBL2178814


SMILES Cc1cc(S(=O)(=O)Nc2cccc(-c3cc(C)c(C(=O)N(C)[C@@H](CCN(C)C)C(=O)O)c(C)c3)c2)c(C)cc1Cl
InChIKey LDWAKTDSZSERFS-SANMLTNESA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 585.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P1 S1PR1 Human Lysophospholipid (S1P) A pKd 9.17 9.17 9.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P5 S1PR5 Human Lysophospholipid (S1P) A pIC50 6.01 6.01 6.01 ChEMBL
S1P4 S1PR4 Human Lysophospholipid (S1P) A pEC50 5.92 5.92 5.92 ChEMBL
S1P1 S1PR1 Human Lysophospholipid (S1P) A pIC50 8.47 8.47 8.47 ChEMBL
S1P3 S1PR3 Human Lysophospholipid (S1P) A pIC50 6.1 6.1 6.1 ChEMBL