CHEMBL361505


SMILES COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)c[nH]c12
InChIKey GGFAWZQZGYUXOY-IERDGZPVSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 485.1

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 7.85 7.85 7.85 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 7.37 7.37 7.37 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.6 7.6 7.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 9.26 9.26 9.26 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 7.54 7.86 8.18 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 7.54 7.86 8.18 ChEMBL