CHEMBL4456505


SMILES COCCc1ccc(OC[C@H](O)CNCCc2ccc(OCCSSCCN)c(OC)c2)cc1
InChIKey DMFJWPHVIMGYIO-JOCHJYFZSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 19
Molecular weight (Da) 510.2

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 6.13 6.13 6.13 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.89 5.89 5.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database