CHEMBL6056876


SMILES CC(C)c1cncc(Nc2c(-c3ccc(-c4ccc(C5(C(=O)O)CC5)cc4C#N)cn3)cnn2C)n1
InChIKey WZMVKHVVKDAQPS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 479.2

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 7.27 7.27 7.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA3 LPAR3 Human Lysophospholipid (LPA) A pIC50 5.33 5.33 5.33 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pIC50 7.53 7.53 7.53 ChEMBL