CHEMBL1255596


SMILES OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1
InChIKey WCPUZUMGETWWNL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 460.2

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
β3 ADRB3 Human Adrenoceptors A pKi 7.77 7.77 7.77 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.8 6.8 6.8 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 8.05 8.05 8.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 7.75 7.75 7.75 ChEMBL