CHEMBL1258259


SMILES Cc1c(-c2ccccc2)sc2ncnc(N3CCC(NCC(O)COc4ccc(O)cc4)CC3)c12
InChIKey BHBSSMZKXOFWQY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 490.2

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 6.3 6.3 6.3 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 6.25 6.25 6.25 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.57 6.57 6.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 8.11 8.11 8.11 ChEMBL