octyl thiophosphatidic acid


SMILES CCCCCCCCOC[C@@H](COP(=S)(O)O)OCCCCCCCC
InChIKey PLCCQSPJUXGEHV-IBGZPJMESA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 20
Molecular weight (Da) 412.2

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 7.17 7.17 7.17 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pKi 6.86 6.86 6.86 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA5 D4ADR1 Rat Lysophospholipid (LPA) A pEC50 5.68 5.68 5.68 Guide to Pharmacology
LPA3 LPAR3 Human Lysophospholipid (LPA) A pIC50 6.74 6.74 6.74 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pIC50 6.48 6.48 6.48 ChEMBL