(2,3-DIHYDRO-BENZO[1,4]DIOXIN-2-YL)-[2-(2,6-DIMETHOXY-PHENOXY)-ETHYL]-METHYL-AMINE

/static/temp/default.svg Search structure
Synonyms
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key GYSZUJHYXCZAKI-UHFFFAOYSA-N
Smiles COc1cccc(OC)c1OCCNCC2COc3ccccc3O2
InChI
InChI=1S/C19H23NO5/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14/h3-9,14,20H,10-13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H23NO5
Molecular Weight 345.39
AlogP 2.85
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 58.18
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 0.426-0.427 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 0.426-0.427 -

Cross References

Resources Reference
ChEMBL CHEMBL25554
PubChem 5685
SureChEMBL SCHEMBL800982
CONTENTS