CHEMBL1084706


SMILES O=C1c2cccc3cc(O)cc(c23)C(=O)N1CC1CCN(CC(O)COc2cccc3[nH]c4ccccc4c23)CC1
InChIKey CLPVTJDKXLZHON-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 549.2

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 6.6 6.6 6.6 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 6.23 6.23 6.23 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 7.43 7.43 7.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pEC50 7.1 7.1 7.1 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 6.63 6.63 6.63 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 6.92 6.92 6.92 ChEMBL