CHEMBL38486


SMILES COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
InChIKey ZFLBZHXQAMUEFS-KUHUBIRLSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 377.1

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 6.77 6.77 6.77 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKi 5.94 5.94 5.94 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 8.49 8.49 8.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Rat Adrenoceptors A pIC50 7.52 7.52 7.52 ChEMBL
β3 ADRB3 Rat Adrenoceptors A pEC50 7.8 7.8 7.8 ChEMBL
β1 ADRB1 Rat Adrenoceptors A pIC50 6.3 6.77 7.23 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 6.38 6.38 6.38 ChEMBL