CHEMBL4474813


SMILES CC(C)NC[C@H](O)COc1ccccc1CC(=O)NCCNC(=O)Cc1ccccc1OC[C@@H](O)CNC(C)C
InChIKey IXPWDDPUUFFEMJ-UIOOFZCWSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 19
Molecular weight (Da) 558.3

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 5.59 5.59 5.59 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 6.33 6.33 6.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pIC50 4.96 4.96 4.96 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.58 6.12 6.67 ChEMBL