CHEMBL1830489


SMILES O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCNCC(O)COc1cccc2ccccc12
InChIKey VTORCSYJQIXGAT-KNTRCKAVSA-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
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pKd 6.62 7.13 7.51 ChEMBL
β3 ADRB3 Human Adrenoceptors A pKd 6.98 7.04 7.1 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 8.87 9.0 9.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database