CHEMBL1830485


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

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 20
Molecular weight (Da) 805.3

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 7.35 7.46 7.58 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 7.04 7.52 8.08 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 8.86 9.11 9.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database