CHEMBL1258257


SMILES OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1ccccc1F
InChIKey LLFZUKMTOZHVQK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 478.2

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 7.85 7.85 7.85 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.36 6.36 6.36 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.6 7.6 7.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 8.08 8.08 8.08 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 6.22 6.22 6.22 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 6.66 6.66 6.66 ChEMBL