CHEMBL1258704


SMILES CC(C)c1ccccc1OCC(O)CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1
InChIKey LCEDLVNAZPHDLS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 502.2

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 7.19 7.19 7.19 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 7.0 7.0 7.0 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 7.0 7.0 7.0 ChEMBL