CHEMBL442225


SMILES C[C@H](Cc1c[nH]c2c(S(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NS(=O)(=O)c2cccc(N)c2)c1
InChIKey QVQLGSIODBNTES-OSPHWJPCSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 10
Molecular weight (Da) 542.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pKi 8.96 8.96 8.96 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 7.47 7.47 7.47 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.7 7.7 7.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 9.33 9.33 9.33 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 7.58 7.58 7.58 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 7.89 7.89 7.89 ChEMBL