CHEMBL4443911


SMILES Cn1cc(C(F)(F)F)nc1-c1ccc(OC[C@@H](O)CNCCOc2ccc(OCCSSCCN)c(C(N)=O)c2)cc1
InChIKey VFIGQPOLOHYAJG-IBGZPJMESA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 18
Molecular weight (Da) 629.2

Drug properties

Molecular type Small molecule
Endogenous/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 7.31 7.31 7.31 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.7 5.7 5.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database