CHEMBL184407


SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIKey ATOBZBFTPJRCNY-IERDGZPVSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 11
Molecular weight (Da) 549.1

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 8.4 8.4 8.4 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 7.18 7.18 7.18 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.32 7.32 7.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 9.68 9.68 9.68 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 7.36 7.49 7.75 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 7.36 7.62 7.75 ChEMBL