CHEMBL1085014


SMILES C=CCc1ccccc1OCC(O)CN1CCC(CN2C(=O)c3cccc4cc(O)cc(c34)C2=O)CC1
InChIKey WCGAHWOFNPWVLF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 500.2

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
β3 ADRB3 Human Adrenoceptors A pKi 5.66 5.66 5.66 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.77 6.77 6.77 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.87 6.87 6.87 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database