Detailed information for compound 1068786

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 319.352 | Formula: C17H21NO5
  • H donors: 0 H acceptors: 1 LogP: 2.72 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cccn1Cc1cc(OC)c(c(c1)OC)OC
  • InChi: 1S/C17H21NO5/c1-5-23-17(19)13-7-6-8-18(13)11-12-9-14(20-2)16(22-4)15(10-12)21-3/h6-10H,5,11H2,1-4H3
  • InChiKey: PCZURIBOXRLLKK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 tar DNA-binding protein 0.0067 0.4105 0.3242
Echinococcus granulosus histone deacetylase 8 0.0039 0.1761 0.0554
Brugia malayi Latrophilin receptor protein 2 0.0033 0.1277 0.1277
Echinococcus granulosus histone deacetylase 6 0.0039 0.1761 0.0554
Schistosoma mansoni histone deacetylase hda2 0.0039 0.1761 0.0554
Leishmania major histone deacetylase, putative 0.0039 0.1761 0.1006
Echinococcus granulosus histone deacetylase 6 0.0039 0.1761 0.0554
Trypanosoma brucei histone deacetylase, putative 0.0039 0.1761 0.1006
Loa Loa (eye worm) transcription factor SMAD2 0.0126 0.9088 0.9004
Loa Loa (eye worm) hypothetical protein 0.0105 0.7338 0.7094
Trypanosoma brucei histone deacetylase 2 0.0039 0.1761 0.1006
Toxoplasma gondii histone deacetylase HDAC1 0.0039 0.1761 0.1006
Onchocerca volvulus Histone deacetylase 10 homolog 0.0039 0.1761 0.5
Brugia malayi histone deacetylase 11 0.0039 0.1761 0.1761
Loa Loa (eye worm) RNA binding protein 0.0067 0.4105 0.3565
Leishmania major histone deacetylase, putative 0.0039 0.1761 0.1006
Brugia malayi TAR-binding protein 0.0067 0.4105 0.4105
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.1277 0.0478
Schistosoma mansoni histone deacetylase hda2 0.0039 0.1761 0.0554
Plasmodium falciparum histone deacetylase 2 0.0039 0.1761 0.1006
Schistosoma mansoni histone deacetylase 4 5 0.0039 0.1761 0.0554
Echinococcus multilocularis histone deacetylase 7 0.0039 0.1761 0.0554
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.4105 0.4105
Echinococcus multilocularis tar DNA binding protein 0.0067 0.4105 0.3242
Echinococcus multilocularis histone deacetylase 6 0.0039 0.1761 0.0554
Brugia malayi hypothetical protein 0.0028 0.0839 0.0839
Loa Loa (eye worm) hypothetical protein 0.0039 0.1761 0.1006
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.4533 0.4533
Loa Loa (eye worm) hypothetical protein 0.0033 0.1277 0.0478
Plasmodium vivax histone deacetylase 2, putative 0.0039 0.1761 0.1006
Loa Loa (eye worm) TAR-binding protein 0.0067 0.4105 0.3565
Echinococcus multilocularis histone deacetylase 6 0.0039 0.1761 0.0554
Brugia malayi RNA binding protein 0.0067 0.4105 0.4105
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 0.9088 0.9004
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4105 0.3242
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4105 0.3242
Schistosoma mansoni histone deacetylase 4 5 0.0039 0.1761 0.0554
Trypanosoma cruzi histone deacetylase, putative 0.0039 0.1761 0.1006
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4105 0.3242
Trypanosoma cruzi histone deacetylase, putative 0.0039 0.1761 0.1006
Loa Loa (eye worm) hypothetical protein 0.0072 0.4533 0.4032
Echinococcus granulosus histone deacetylase 0.0039 0.1761 0.0554
Trypanosoma cruzi histone deacetylase, putative 0.0039 0.1761 0.1006
Trypanosoma brucei histone deacetylase 3 0.0039 0.1761 0.1006
Toxoplasma gondii histone deacetylase HDAC5 0.0039 0.1761 0.1006
Schistosoma mansoni histone deacetylase 1 2 3 0.0039 0.1761 0.0554
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.7338 0.7094
Echinococcus granulosus histone deacetylase 6 0.0039 0.1761 0.0554
Plasmodium vivax histone deacetylase, putative 0.0039 0.1761 0.1006
Brugia malayi Histone deacetylase family protein 0.0039 0.1761 0.1761
Echinococcus multilocularis histone deacetylase 0.0039 0.1761 0.0554
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.4105 0.3565
Plasmodium vivax histone deacetylase, putative 0.0039 0.1761 0.1006
Echinococcus granulosus histone deacetylase 7 0.0039 0.1761 0.0554
Schistosoma mansoni hypothetical protein 0.0072 0.4533 0.3732
Echinococcus granulosus tar DNA binding protein 0.0067 0.4105 0.3242
Brugia malayi Histone deacetylase family protein 0.0039 0.1761 0.1761
Trypanosoma cruzi histone deacetylase, putative 0.0039 0.1761 0.1006
Trypanosoma brucei histone deacetylase 4 0.0039 0.1761 0.1006
Echinococcus multilocularis histone deacetylase 8 0.0039 0.1761 0.0554
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.1277 0.1277
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.7338 0.7338
Loa Loa (eye worm) histone deacetylase 7A 0.0039 0.1761 0.1006
Loa Loa (eye worm) histone deacetylase 11 0.0039 0.1761 0.1006
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4105 0.3242
Brugia malayi MH2 domain containing protein 0.0126 0.9088 0.9088
Loa Loa (eye worm) histone deacetylase 0.0039 0.1761 0.1006
Toxoplasma gondii histone deacetylase HDAC4 0.0039 0.1761 0.1006
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.7338 0.7338
Echinococcus multilocularis histone deacetylase 6 0.0039 0.1761 0.0554
Plasmodium falciparum histone deacetylase, putative 0.0039 0.1761 0.1006
Trypanosoma cruzi histone deacetylase, putative 0.0039 0.1761 0.1006

Activities

No activities found for this compound.

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

No literature references available for this target.

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