Detailed information for compound 512184

Basic information

Technical information
  • TDR Targets ID: 512184
  • Name: (E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyph enyl)prop-2-en-1-one
  • MW: 356.412 | Formula: C21H24O5
  • H donors: 0 H acceptors: 1 LogP: 4.31 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cccc(c1C(=O)/C=C/c1c(OC)cccc1OC)OCC
  • InChi: 1S/C21H24O5/c1-5-25-19-11-8-12-20(26-6-2)21(19)16(22)14-13-15-17(23-3)9-7-10-18(15)24-4/h7-14H,5-6H2,1-4H3/b14-13+
  • InChiKey: QIPSEHJFODSFMH-BUHFOSPRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-1-(2,6-diethoxyphenyl)-3-(2,6-dimethoxyphenyl)-2-propen-1-one

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0069 0.4171 0.4171
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0085 0.6186 0.6186
Entamoeba histolytica hypothetical protein 0.0036 0 0.5
Onchocerca volvulus 0.0067 0.3876 0.5
Brugia malayi hypothetical protein 0.0067 0.3876 0.6265
Entamoeba histolytica hypothetical protein 0.0036 0 0.5
Echinococcus granulosus jun protein 0.0085 0.6186 0.6186
Echinococcus multilocularis jun protein 0.0085 0.6186 0.6894
Entamoeba histolytica hypothetical protein 0.0036 0 0.5
Brugia malayi bZIP transcription factor family protein 0.0085 0.6186 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0107 0.8974 1
Entamoeba histolytica hypothetical protein 0.0036 0 0.5
Schistosoma mansoni jun-related protein 0.0069 0.4171 0.4171
Loa Loa (eye worm) hypothetical protein 0.0083 0.5891 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0085 0.6186 0.6894
Schistosoma mansoni retinoic acid receptor RXR 0.0115 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 14 % Cell cycle arrest in human K562 cells assessed as accumulation at G2/M phase at 10 uM after 24 hrs by flow cytometry ChEMBL. 18293907
Activity (functional) = 14 % Cell cycle arrest in human K562 cells assessed as accumulation at G2/M phase at 10 uM after 24 hrs by flow cytometry ChEMBL. 18293907
Inhibition (binding) = 1.3 % Inhibition of ABCG2-mediated mitoxantrone efflux expressed in HEK293 cells at 2 uM after 48 hrs by flow cytometric analysis ChEMBL. 22449016
Inhibition (binding) = 17.4 % Inhibition of ABCG2-mediated mitoxantrone efflux expressed in HEK293 cells at 10 uM after 48 hrs by flow cytometric analysis ChEMBL. 22449016

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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