CHEMBL1221681


SMILES O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCC[C@@H]3OCc3ccccc3)c2s1
InChIKey QTWVYUJFBIVOHT-SZMVWBNQSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 7
Molecular weight (Da) 400.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 ADRB1 Human Adrenoceptors A pKi 6.97 7.06 7.16 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 8.21 8.41 8.6 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.05 6.05 6.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β2 ADRB2 Guinea pig Adrenoceptors A pIC50 8.66 8.66 8.66 ChEMBL
β2 ADRB2 Human Adrenoceptors A pEC50 9.6 9.6 9.6 ChEMBL