CHEMBL5994745


SMILES CC(C)c1cncc(Nc2c(-c3ccc(-c4ccc(C5(C(=O)O)CC5)cc4)cn3)cnn2C)n1
InChIKey QULQVCSHCACLOQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 454.2

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 7.82 7.82 7.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA3 LPAR3 Human Lysophospholipid (LPA) A pIC50 5.7 5.7 5.7 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pIC50 7.69 7.69 7.69 ChEMBL