CHEMBL1086077


SMILES O=C(c1ccc(F)cc1)C1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1
InChIKey JUCXTUIBEHQPPZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 446.2

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
β3 ADRB3 Human Adrenoceptors A pKi 6.6 6.6 6.6 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 7.5 7.5 7.5 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 9.52 9.52 9.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 6.42 6.42 6.42 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 6.51 6.51 6.51 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 7.5 7.5 7.5 ChEMBL