CHEMBL1830486


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

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 22
Molecular weight (Da) 833.4

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 6.82 6.87 6.91 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 6.74 7.36 7.87 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 9.14 9.35 9.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database