CHEMBL3298325


SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1cccc(CN)c1
InChIKey BBKQWNRTHAAOCF-PMERELPUSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 6
Rotatable bonds 11
Molecular weight (Da) 550.3

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 8.8 8.8 8.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 7.6 7.6 7.6 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 8.4 8.4 8.4 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 9.5 9.8 10.1 ChEMBL