CHEMBL3290989


SMILES COc1ccc(Nc2ccc(CCNCC(O)c3ccc(O)c(CO)c3)cc2)cc1-c1ccccc1
InChIKey CJOMMFVMZGNTNI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 5
Rotatable bonds 11
Molecular weight (Da) 484.2

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
β1 ADRB1 Human Adrenoceptors A pKi 4.7 4.7 4.7 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.2 7.2 7.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pEC50 8.9 8.9 8.9 ChEMBL