CHEMBL5996116


SMILES Cn1ncc(-c2ncc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2F)c1Nc1cncc(C(C)(C)F)n1
InChIKey VQHYQHISOUPKFU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 490.2

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 7.09 7.09 7.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA3 LPAR3 Human Lysophospholipid (LPA) A pIC50 5.8 5.8 5.8 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pIC50 7.78 7.78 7.78 ChEMBL