CHEMBL228998


SMILES COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(O)cc(O)c2)cc1
InChIKey WHAUNCTVVNUUIP-KZULUSFZSA-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 4.48 4.48 4.48 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.28 6.16 7.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Human Adrenoceptors A pEC50 8.14 8.14 8.14 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 8.5 8.5 8.5 ChEMBL