CHEMBL317003


SMILES CS(=O)(=O)Nc1cc([C@@H](O)CNCC2CCN(S(=O)(=O)c3ccc(-n4cc(CC(=O)O)c5ccccc54)cc3)CC2)ccc1O
InChIKey QUXVAAUXWISJKB-PMERELPUSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 12
Molecular weight (Da) 656.2

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
β1 ADRB1 Human Adrenoceptors A pKi 6.62 6.62 6.62 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.75 6.75 6.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 7.96 7.96 7.96 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 7.52 7.52 7.52 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 7.52 7.52 7.52 ChEMBL