CHEMBL1258023


SMILES COc1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey SOHSSKABZVMGBU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 490.2

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 7.96 7.96 7.96 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.67 6.67 6.67 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.96 7.96 7.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 8.6 8.6 8.6 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 8.02 8.02 8.02 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 6.69 6.69 6.69 ChEMBL