CHEMBL1830490


SMILES O=C(CCCCCNC(=O)COc1ccc(/C=C/c2ccc3n2[B-](F)(F)[N+]2=C(c4cccs4)C=CC2=C3)cc1)NCCCCCCCCNCC(O)COc1cccc2ccccc12
InChIKey SMVONLFCHHISHK-BSYVCWPDSA-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 6.94 7.03 7.11 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKd 6.66 6.69 6.72 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKd 8.24 8.42 8.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database