CHEMBL1830487


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

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 26
Molecular weight (Da) 889.4

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 6.85 7.01 7.17 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 6.1 6.7 7.28 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 8.15 8.46 8.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database