CHEMBL379248


SMILES CCCCCCCCNC(=O)[C@@H](COP(O)(O)=S)NC(=O)CCCCCCC
InChIKey VNBIUEOBRLCNQI-QGZVFWFLSA-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
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 6.93 6.93 6.93 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pKi 5.54 5.54 5.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA3 LPAR3 Human Lysophospholipid (LPA) A pIC50 6.52 6.52 6.52 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pIC50 5.13 5.13 5.13 ChEMBL