CHEMBL5405856


SMILES COC(=O)Nc1nc(C)c(S(=O)(=O)N2CCN(C[C@H](C)Nc3ncnc4c(C(=O)N(C)C)cccc34)CC2)s1
InChIKey ZUTGATJOERBTMC-HNNXBMFYSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 576.2

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LPA2 LPAR2 Mouse Lysophospholipid (LPA) A pIC50 5.4 5.4 5.4 ChEMBL
LPA2 LPAR2 Human Lysophospholipid (LPA) A pIC50 6.59 6.59 6.59 ChEMBL
LPA1 LPAR1 Human Lysophospholipid (LPA) A pIC50 4.67 4.67 4.67 ChEMBL