CHEMBL182446


SMILES CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)(O)O)Cc1ccc(OCc2cc(OCCOC)ccn2)cc1
InChIKey CSFMYMIHKKPMPF-NFYUYZAESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 28
Molecular weight (Da) 676.4

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
LPA3 LPAR3 Human Lysophospholipid (LPA) A pKi 6.37 6.37 6.37 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pKi 7.46 7.46 7.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA1 LPAR1 Human Lysophospholipid (LPA) A pIC50 6.94 6.94 6.94 ChEMBL