CHEMBL1830491


SMILES O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCOCCOCCNC[C@H](O)COc1cccc2ccccc12
InChIKey WDAOLHBVTYRJBA-QLCFTWLVSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 26
Molecular weight (Da) 893.4

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 6.97 7.03 7.09 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 7.17 7.8 8.46 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 9.21 9.37 9.53 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database