CHEMBL1830620


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

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 20
Molecular weight (Da) 794.3

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 6.48 6.62 6.75 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 6.06 6.29 6.52 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 7.33 7.42 7.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database