Detailed information for compound 1725796

Basic information

Technical information
  • TDR Targets ID: 1725796
  • Name: 16689-02-4
  • MW: 154.147 | Formula: C5H2N2O2S
  • H donors: 0 H acceptors: 3 LogP: 1.82 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(s1)[N+](=O)[O-]
  • InChi: 1S/C5H2N2O2S/c6-3-4-1-2-5(10-4)7(8)9/h1-2H
  • InChiKey: FLYONFCGDKAMIH-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 07517_FLUKA
  • 2-Cyano-5-nitrothiophene
  • RF 01682
  • ZINC00076192
  • SR-01000637546-1
  • 5-Cyano-2-nitrothiophene
  • TE4025
  • Maybridge1_005980
  • 5-Nitro-2-thiophenecarbonitrile
  • 5-Nitrothiophene-2-carbonitrile

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
Trichomonas vaginalis histone deacetylase, putative 0.0744 0.9602 0.5
Brugia malayi Histone deacetylase family protein 0.0681 0.804 0.7715
Loa Loa (eye worm) steroid hormone receptor 0.047 0.2764 0.2879
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.047 0.2764 0.2879
Entamoeba histolytica histone deacetylase, putative 0.0744 0.9602 0.5
Onchocerca volvulus 0.047 0.2764 0.5
Loa Loa (eye worm) hypothetical protein 0.047 0.2764 0.2879
Schistosoma mansoni histone deacetylase 4 5 0.0681 0.804 0.7291
Toxoplasma gondii histone deacetylase HDAC2 0.0744 0.9602 1
Echinococcus multilocularis histone deacetylase 6 0.0681 0.804 0.7291
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.047 0.2764 0.2879
Leishmania major histone deacetylase, putative 0.0744 0.9602 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0744 0.9602 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.047 0.2764 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0744 0.9602 0.5
Echinococcus multilocularis histone deacetylase 1 0.0744 0.9602 0.945
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.047 0.2764 0.2879
Trypanosoma cruzi histone deacetylase 1, putative 0.0744 0.9602 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.047 0.2764 0.2879
Trichomonas vaginalis histone deacetylase, putative 0.0744 0.9602 0.5
Echinococcus granulosus histone deacetylase 3 0.0744 0.9602 0.945
Echinococcus granulosus histone deacetylase 1 0.0744 0.9602 0.945
Loa Loa (eye worm) hypothetical protein 0.047 0.2764 0.2879
Brugia malayi histone deacetylase 1 (HD1) 0.0744 0.9602 1
Trichomonas vaginalis histone deacetylase, putative 0.0744 0.9602 0.5
Trypanosoma brucei histone deacetylase 1 0.0744 0.9602 1
Trichomonas vaginalis histone deacetylase, putative 0.0744 0.9602 0.5
Echinococcus granulosus histone deacetylase 6 0.0681 0.804 0.7291
Toxoplasma gondii histone deacetylase HDAC3 0.0744 0.9602 1
Loa Loa (eye worm) hypothetical protein 0.047 0.2764 0.2879
Loa Loa (eye worm) hypothetical protein 0.047 0.2764 0.2879
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0744 0.9602 0.5
Trichomonas vaginalis histone deacetylase, putative 0.0744 0.9602 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.047 0.2764 0.2879
Loa Loa (eye worm) hypothetical protein 0.047 0.2764 0.2879
Loa Loa (eye worm) hypothetical protein 0.0438 0.196 0.2041
Loa Loa (eye worm) hypothetical protein 0.047 0.2764 0.2879
Loa Loa (eye worm) histone deacetylase 1 0.0744 0.9602 1
Giardia lamblia Histone deacetylase 0.0744 0.9602 0.5
Schistosoma mansoni histone deacetylase 0.0744 0.9602 0.945
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0744 0.9602 0.5
Loa Loa (eye worm) hypothetical protein 0.0744 0.9602 1
Echinococcus granulosus histone deacetylase 7 0.0681 0.804 0.7291
Echinococcus granulosus histone deacetylase 0.0681 0.804 0.7291
Trypanosoma cruzi histone deacetylase 1, putative 0.0744 0.9602 1
Brugia malayi histone deacetylase 3 (HD3) 0.0744 0.9602 1
Loa Loa (eye worm) hypothetical protein 0.047 0.2764 0.2879
Echinococcus multilocularis histone deacetylase 3 0.0744 0.9602 0.945
Brugia malayi Histone deacetylase 1 0.0744 0.9602 1
Echinococcus multilocularis histone deacetylase 0.0681 0.804 0.7291
Leishmania major histone deacetylase, putative 0.0744 0.9602 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.047 0.2764 0.2879
Schistosoma mansoni histone deacetylase 4 5 0.0681 0.804 0.7291
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.047 0.2764 0.2879
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.047 0.2764 0.5
Echinococcus granulosus histone deacetylase 6 0.0681 0.804 0.7291
Onchocerca volvulus Bile acid receptor homolog 0.047 0.2764 0.5
Loa Loa (eye worm) histone deacetylase 7A 0.0681 0.804 0.8373
Schistosoma mansoni histone deacetylase 0.0744 0.9602 0.945
Brugia malayi Histone deacetylase family protein 0.0681 0.804 0.7715
Loa Loa (eye worm) histone deacetylase 0.0681 0.804 0.8373
Loa Loa (eye worm) hypothetical protein 0.047 0.2764 0.2879
Plasmodium falciparum histone deacetylase 1 0.0744 0.9602 1
Echinococcus multilocularis histone deacetylase 6 0.0681 0.804 0.7291
Echinococcus multilocularis histone deacetylase 7 0.0681 0.804 0.7291
Loa Loa (eye worm) histone deacetylase 3 0.0744 0.9602 1
Plasmodium vivax histone deacetylase 1, putative 0.0744 0.9602 1

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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