CHEMBL1830621


SMILES O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNCC(O)COc1cccc2[nH]ccc12
InChIKey GBEWRSJQTLMKTO-JLHYYAGUSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 26
Molecular weight (Da) 882.4

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
β3 ADRB3 Human Adrenoceptors A pKd 6.42 6.48 6.54 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 7.01 7.21 7.42 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 7.96 8.05 8.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database