CHEMBL3298324


SMILES COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1CN
InChIKey QUIWZJSYFWGPPN-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

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pKi 8.5 8.5 8.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pEC50 8.6 8.6 8.6 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 9.1 9.5 9.9 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 8.2 8.2 8.2 ChEMBL