CHEMBL4446394


SMILES CC(C)NC[C@H](O)COc1ccccc1CCCNC(=O)NCCCc1ccccc1OC[C@@H](O)CNC(C)C
InChIKey LJWNNXVLKPPMLD-NSOVKSMOSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 6
Rotatable bonds 20
Molecular weight (Da) 558.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pKi 7.35 7.35 7.35 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 8.93 8.93 8.93 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 8.72 8.72 8.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pIC50 6.43 6.43 6.43 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 8.12 8.46 8.8 ChEMBL