CHEMBL440396


SMILES CCCCCCCCNC(=O)[C@H](COP(O)(O)=S)NC(=O)CCCCCCC
InChIKey VNBIUEOBRLCNQI-KRWDZBQOSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 18
Molecular weight (Da) 438.2

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 6.93 6.93 6.93 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pKi 6.82 6.82 6.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA3 LPAR3 Human Lysophospholipid (LPA) A pIC50 6.6 6.6 6.6 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pIC50 6.32 6.32 6.32 ChEMBL