CHEMBL5743587


SMILES Cn1ncc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cn2)c1Nc1cncc(C(C)(F)F)n1
InChIKey HMHGLQULECVPPS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 476.2

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
LPA1 LPAR1 Human Lysophospholipid (LPA) A pKi 7.39 7.39 7.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA1 LPAR1 Human Lysophospholipid (LPA) A pIC50 7.61 7.61 7.61 ChEMBL
LPA3 LPAR3 Human Lysophospholipid (LPA) A pIC50 5.37 5.37 5.37 ChEMBL