CHEMBL99599


SMILES CCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1
InChIKey LCRJAKNCIMQCLJ-LJAQVGFWSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 17
Molecular weight (Da) 638.3

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
β1 ADRB1 Human Adrenoceptors A pKi 5.18 5.18 5.18 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.85 6.85 6.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pEC50 6.14 6.14 6.14 ChEMBL
β3 ADRB3 Human Adrenoceptors A pEC50 8.22 8.22 8.22 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 7.52 7.52 7.52 ChEMBL