CHEMBL3290990


SMILES COc1cccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)c1
InChIKey GYFAUZMSCNTVFO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 10
Molecular weight (Da) 408.2

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 Human Adrenoceptors A pKi 4.9 4.9 4.9 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.2 6.2 6.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pEC50 8.0 8.0 8.0 ChEMBL