CHEMBL5839355


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

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 484.2

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 6.94 6.94 6.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA3 LPAR3 Human Lysophospholipid (LPA) A pIC50 5.28 5.28 5.28 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pIC50 6.91 6.91 6.91 ChEMBL