CHEMBL1258025


SMILES OC(CNC1CCN(c2ncnc3scc(-c4cccs4)c23)CC1)COc1ccccc1
InChIKey PPXVGKZIQVRGBY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 466.2

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 7.96 7.96 7.96 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 7.48 7.48 7.48 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 8.4 8.4 8.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 8.33 8.33 8.33 ChEMBL