CHEMBL482498


SMILES O=C(O)/C=C/C(=O)Nc1ccc(Oc2cccc(Oc3ccc(NC(=O)/C=C/C(=O)O)cc3)c2)cc1
InChIKey HZFPOTBCYPWQSH-QUMQEAAQSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 488.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA2 LPAR2 Human Lysophospholipid (LPA) A pKi 8.14 8.14 8.14 ChEMBL
LPA3 LPAR3 Human Lysophospholipid (LPA) A pKi 6.51 6.51 6.51 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pKi 4.87 4.87 4.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA2 LPAR2 Human Lysophospholipid (LPA) A pIC50 8.05 8.05 8.05 ChEMBL
LPA3 LPAR3 Human Lysophospholipid (LPA) A pIC50 5.91 5.91 5.91 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pIC50 4.56 4.56 4.56 ChEMBL