CHEMBL32599


SMILES CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)cc3)CC2)ccc1O
InChIKey WJZRAVQJGGLRCV-XCZPVHLTSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 12
Molecular weight (Da) 596.2

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
β2 ADRB2 Human Adrenoceptors A pKi 6.32 6.32 6.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 8.4 8.4 8.4 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 4.36 4.36 4.36 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 5.82 5.82 5.82 ChEMBL