CHEMBL314555


SMILES CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](COP(=O)(O)O)Cc1ccc(OCc2ccccn2)cc1
InChIKey XHZMTTZICDAOHN-KKUMVYOXSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 24
Molecular weight (Da) 602.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA3 LPAR3 Human Lysophospholipid (LPA) A pKi 6.03 6.03 6.03 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pKi 6.81 6.81 6.81 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA3 LPAR3 Human Lysophospholipid (LPA) A pIC50 6.03 6.03 6.03 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pIC50 6.22 6.22 6.22 ChEMBL