CHEMBL4537221


SMILES COc1cc(CCNC[C@H](O)COc2cccc3ccccc23)ccc1OCCSSCCN
InChIKey ZBAVHTZBLFYIAR-QFIPXVFZSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 16
Molecular weight (Da) 502.2

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
β1 ADRB1 Mouse Adrenoceptors A pKi 9.31 9.31 9.31 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 9.8 9.8 9.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database