CHEMBL604677


SMILES O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(Oc3ccc([N+](=O)[O-])cc3)c1)C2=O
InChIKey HFYPTENHTPNXGP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 404.1

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
LPA5 LPAR5 Human Lysophospholipid (LPA) A pKi 6.54 6.54 6.54 ChEMBL
LPA3 LPAR3 Human Lysophospholipid (LPA) A pKi 6.64 6.64 6.64 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pKi 7.32 7.32 7.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA5 LPAR5 Human Lysophospholipid (LPA) A pIC50 6.33 6.33 6.33 ChEMBL
LPA3 LPAR3 Human Lysophospholipid (LPA) A pIC50 6.12 6.12 6.12 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pIC50 7.03 7.03 7.03 ChEMBL