Chembl1160734


SMILES C=CCc1ccccc1OC[C@@H](O)CNC(C)C
InChIKey PAZJSJFMUHDSTF-AWEZNQCLSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 249.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 3NYA 6PS2 6PRZ 6OBA
Ligand site mutations β1 β2

Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pKi 8.84 8.84 8.84 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 8.23 8.23 8.23 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 8.64 8.89 9.14 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 9.03 9.03 9.03 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 9.05 9.05 9.05 ChEMBL