CHEMBL398241


SMILES COc1ccc([C@H](CCc2cccc(Cl)c2)NC[C@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC
InChIKey UBISJHGCXANUDM-PKTZIBPZSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 13
Molecular weight (Da) 548.2

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 7.54 7.54 7.54 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.38 6.38 6.38 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.58 7.58 7.58 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database