CHEMBL440696


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

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA3 LPAR3 Human Lysophospholipid (LPA) A pKi 6.76 6.76 6.76 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pKi 7.75 7.75 7.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA3 LPAR3 Human Lysophospholipid (LPA) A pIC50 6.76 6.76 6.76 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pIC50 6.96 6.96 6.96 ChEMBL