CHEMBL188196


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 12
Molecular weight (Da) 529.1

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 7.77 7.77 7.77 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.32 6.32 6.32 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.8 6.8 6.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 8.77 8.77 8.77 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 6.75 7.23 7.72 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 6.75 7.23 7.72 ChEMBL