CHEMBL228992


SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
InChIKey WHAUNCTVVNUUIP-XIKOKIGWSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 317.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Rat Adrenoceptors A pKi 4.66 4.66 4.66 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.32 7.15 8.39 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 6.32 6.32 6.32 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Rat Adrenoceptors A pEC50 6.73 6.73 6.73 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 9.52 9.52 9.52 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 9.77 9.77 9.77 ChEMBL