CHEMBL228996


SMILES COc1ccc(C[C@H](C)NC[C@H](O)c2cc(O)cc(O)c2)cc1
InChIKey WHAUNCTVVNUUIP-SGTLLEGYSA-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
Endogenous/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 4.51 4.51 4.51 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.71 6.46 7.58 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 5.71 5.71 5.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Rat Adrenoceptors A pEC50 6.3 6.3 6.3 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 8.7 8.7 8.7 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 8.7 8.7 8.7 ChEMBL