CHEMBL400067


SMILES COc1ccc([C@H](CCc2ccccc2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC
InChIKey MXPUBPBHIUDTJX-PKTZIBPZSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 13
Molecular weight (Da) 514.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pKi 8.05 8.05 8.05 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.41 6.41 6.41 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.0 6.0 6.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database