CHEMBL3298832


SMILES CS(=O)(=O)N1CCN(CCOc2ccc(Nc3ccc(CCNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)CC1
InChIKey RIXSFNWLADAXSB-PMERELPUSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 13
Molecular weight (Da) 621.3

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
β2 ADRB2 Human Adrenoceptors A pKi 7.5 7.5 7.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pEC50 8.1 8.1 8.1 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 7.5 7.5 7.5 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 8.2 8.7 9.2 ChEMBL