CHEMBL4514723


SMILES CC(C)NC[C@H](O)COc1ccccc1CCCn1cc(CNCc2cn(CCCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1
InChIKey NBTZMFMFCAFRPY-HEVIKAOCSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 24
Molecular weight (Da) 677.4

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 8.96 8.96 8.96 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 9.36 9.36 9.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pIC50 8.33 8.33 8.33 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 8.54 8.73 8.92 ChEMBL