CHEMBL1830618


SMILES C=CCc1ccccc1OC[C@@H](O)CNCCOCCOCCNC(=O)CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1
InChIKey IKDADGNGNUKYHI-QLCFTWLVSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 28
Molecular weight (Da) 883.4

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β3 ADRB3 Human Adrenoceptors A pKd 7.0 7.11 7.21 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 7.38 7.72 8.12 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 9.03 9.2 9.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database