CHEMBL3086532


SMILES CCn1c(OC)nnc1[C@@H](C)NS(=O)(=O)c1ccc(F)c(Cl)c1
InChIKey CZEKSFTXHJDYSF-MRVPVSSYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 362.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P3 S1PR3 Human Lysophospholipid (S1P) A pKi 5.31 5.31 5.31 ChEMBL
S1P1 S1PR1 Human Lysophospholipid (S1P) A pKi 6.6 6.6 6.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
S1P1 S1PR1 Human Lysophospholipid (S1P) A pIC50 6.42 6.42 6.42 ChEMBL