CHEMBL1206181


SMILES CCCCCCCCCCC#CC(O)c1ccccc1-c1ccc(Sc2ccc(OCCCC)cc2)c(S(=O)(=O)O)c1
InChIKey GQBHTDSBHZGOKN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 17
Molecular weight (Da) 608.3

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA2 LPAR2 Human Lysophospholipid (LPA) A pIC50 4.4 4.4 4.4 ChEMBL
S1P2 S1PR2 Human Lysophospholipid (S1P) A pIC50 4.62 4.62 4.62 ChEMBL
S1P3 S1PR3 Human Lysophospholipid (S1P) A pIC50 4.89 4.89 4.89 ChEMBL
S1P1 S1PR1 Human Lysophospholipid (S1P) A pIC50 6.0 6.36 6.72 ChEMBL