CHEMBL285881


SMILES CC(C)C[C@H](NC(=O)c1ccc(N2CCC(NC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)cc1)C(=O)O
InChIKey UCLMKQWLGHPTKX-ZCYQVOJMSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 12
Molecular weight (Da) 562.2

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 5.47 5.47 5.47 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 7.22 7.22 7.22 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 7.1 7.1 7.1 ChEMBL