CHEMBL3298987


SMILES CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1
InChIKey HJLOLWXGFOKVSM-HKBQPEDESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 6
Rotatable bonds 12
Molecular weight (Da) 578.3

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
β2 ADRB2 Human Adrenoceptors A pKi 9.0 9.0 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pEC50 8.1 8.1 8.1 ChEMBL
β1 ADRB1 Human Adrenoceptors A pEC50 8.8 8.8 8.8 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 9.2 9.7 10.2 ChEMBL