CHEMBL1830617


SMILES C=CCc1ccccc1OCC(O)CNCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1
InChIKey IMRFACHFIDBCFZ-SAPNQHFASA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 22
Molecular weight (Da) 795.3

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
β3 ADRB3 Human Adrenoceptors A pKd 7.33 7.48 7.63 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 6.92 7.18 7.36 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 8.63 8.71 8.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database