Detailed information for compound 878236

Basic information

Technical information
  • TDR Targets ID: 878236
  • Name: (2E)-2-(2-naphthylhydrazono)-2-[4-(3-nitrophe nyl)-2-thiazolyl]acetonitrile
  • MW: 399.425 | Formula: C21H13N5O2S
  • H donors: 1 H acceptors: 4 LogP: 6.33 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(=NNc1ccc2c(c1)cccc2)c1scc(n1)c1cccc(c1)[N+](=O)[O-]
  • InChi: 1S/C21H13N5O2S/c22-12-19(25-24-17-9-8-14-4-1-2-5-15(14)10-17)21-23-20(13-29-21)16-6-3-7-18(11-16)26(27)28/h1-11,13,24H/b25-19+
  • InChiKey: XSYRMXJPBPMETI-NCELDCMTSA-N  

Network

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Synonyms

  • 2-(2-naphthylhydrazono)-2-[4-(3-nitrophenyl)-2-thiazolyl]acetonitrile
  • 2-(2-naphthylhydrazono)-2-[4-(3-nitrophenyl)thiazol-2-yl]acetonitrile
  • (2E)-2-(2-naphthylhydrazono)-2-[4-(3-nitrophenyl)thiazol-2-yl]acetonitrile
  • 2-(naphthalen-2-ylhydrazinylidene)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanenitrile
  • (2E)-2-(naphthalen-2-ylhydrazinylidene)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanenitrile

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
Loa Loa (eye worm) hypothetical protein 0.0583 0.076 0.0688
Echinococcus granulosus histone deacetylase 6 0.1653 0.6481 0.6481
Schistosoma mansoni histone deacetylase 1 2 3 0.095 0.272 0.272
Leishmania major histone deacetylase, putative 0.2311 1 1
Loa Loa (eye worm) histone deacetylase 1 0.2311 1 1
Trichomonas vaginalis histone deacetylase, putative 0.2311 1 0.5
Echinococcus multilocularis carbonic anhydrase II 0.0455 0.0077 0.0077
Trypanosoma brucei histone deacetylase 2 0.095 0.272 0.2664
Echinococcus multilocularis histone deacetylase 6 0.1653 0.6481 0.6481
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0455 0.0077 0.0077
Plasmodium falciparum histone deacetylase 1 0.2311 1 1
Loa Loa (eye worm) hypothetical protein 0.064 0.1063 0.0994
Leishmania major histone deacetylase, putative 0.1589 0.614 0.611
Echinococcus multilocularis serotonin receptor 0.0583 0.076 0.076
Echinococcus granulosus histone deacetylase 7 0.1589 0.614 0.614
Schistosoma mansoni histone deacetylase hda2 0.095 0.272 0.272
Trichomonas vaginalis histone deacetylase, putative 0.2311 1 0.5
Trypanosoma brucei histone deacetylase 4 0.1589 0.614 0.611
Loa Loa (eye worm) histone deacetylase 11 0.095 0.272 0.2664
Toxoplasma gondii histone deacetylase HDAC2 0.2311 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.2311 1 0.5
Loa Loa (eye worm) histone deacetylase 0.1589 0.614 0.611
Echinococcus multilocularis histone deacetylase 3 0.2311 1 1
Trypanosoma cruzi histone deacetylase, putative 0.1589 0.614 0.611
Echinococcus granulosus histone deacetylase 6 0.1589 0.614 0.614
Trypanosoma cruzi histone deacetylase 1, putative 0.2311 1 1
Leishmania major histone deacetylase, putative 0.1589 0.614 0.611
Toxoplasma gondii histone deacetylase HDAC3 0.2311 1 1
Trichomonas vaginalis histone deacetylase, putative 0.2311 1 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0583 0.076 0.076
Echinococcus granulosus histone deacetylase 0.1589 0.614 0.614
Echinococcus granulosus histone deacetylase 8 0.095 0.272 0.272
Echinococcus multilocularis histone deacetylase 7 0.1589 0.614 0.614
Echinococcus granulosus histone deacetylase 3 0.2311 1 1
Echinococcus granulosus carbonic anhydrase II 0.0455 0.0077 0.0077
Trypanosoma cruzi histone deacetylase, putative 0.095 0.272 0.2664
Echinococcus multilocularis histone deacetylase 1 0.2311 1 1
Echinococcus multilocularis histone deacetylase 6 0.1589 0.614 0.614
Brugia malayi Histone deacetylase family protein 0.1589 0.614 0.611
Onchocerca volvulus Histone deacetylase 10 homolog 0.095 0.272 0.5
Trypanosoma cruzi histone deacetylase, putative 0.095 0.272 0.2664
Echinococcus granulosus histone deacetylase 1 0.2311 1 1
Trypanosoma brucei histone deacetylase 1 0.2311 1 1
Schistosoma mansoni histone deacetylase 4 5 0.1589 0.614 0.614
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.2311 1 0.5
Schistosoma mansoni histone deacetylase 4 5 0.1589 0.614 0.614
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0455 0.0077 0.0077
Schistosoma mansoni histone deacetylase hda2 0.1653 0.6481 0.6481
Trypanosoma brucei histone deacetylase 3 0.1589 0.614 0.611
Echinococcus granulosus hypothetical protein 0.0765 0.1735 0.1735
Plasmodium vivax histone deacetylase, putative 0.1589 0.614 0.4698
Trypanosoma cruzi histone deacetylase, putative 0.1589 0.614 0.611
Trichomonas vaginalis histone deacetylase, putative 0.2311 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0703 0.1404 0.1337
Toxoplasma gondii histone deacetylase HDAC1 0.1589 0.614 0.4698
Echinococcus multilocularis serotonin receptor 0.0583 0.076 0.076
Plasmodium vivax histone deacetylase 1, putative 0.2311 1 1
Trypanosoma cruzi histone deacetylase 1, putative 0.2311 1 1
Loa Loa (eye worm) hypothetical protein 0.0583 0.076 0.0688
Trichomonas vaginalis histone deacetylase, putative 0.2311 1 0.5
Entamoeba histolytica histone deacetylase, putative 0.2311 1 0.5
Trypanosoma brucei histone deacetylase, putative 0.1589 0.614 0.611
Echinococcus multilocularis histone deacetylase 0.1589 0.614 0.614
Trypanosoma cruzi histone deacetylase, putative 0.1589 0.614 0.611
Loa Loa (eye worm) hypothetical protein 0.095 0.272 0.2664
Brugia malayi Histone deacetylase 1 0.2311 1 1
Plasmodium vivax histone deacetylase 2, putative 0.1589 0.614 0.4698
Brugia malayi histone deacetylase 11 0.095 0.272 0.2664
Loa Loa (eye worm) histone deacetylase 7A 0.1589 0.614 0.611
Echinococcus granulosus biogenic amine 5HT receptor 0.0583 0.076 0.076
Leishmania major histone deacetylase, putative 0.2311 1 1
Echinococcus multilocularis histone deacetylase 6 0.1589 0.614 0.614
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.2311 1 0.5
Giardia lamblia Histone deacetylase 0.2311 1 0.5
Echinococcus multilocularis histone deacetylase 8 0.095 0.272 0.272
Trichomonas vaginalis histone deacetylase, putative 0.2311 1 0.5
Echinococcus granulosus histone deacetylase 6 0.1589 0.614 0.614
Schistosoma mansoni histone deacetylase 0.2311 1 1
Echinococcus multilocularis conserved hypothetical protein 0.0714 0.1461 0.1461
Loa Loa (eye worm) hypothetical protein 0.2311 1 1
Schistosoma mansoni histone deacetylase 0.2311 1 1
Brugia malayi Histone deacetylase family protein 0.1589 0.614 0.611
Brugia malayi histone deacetylase 1 (HD1) 0.2311 1 1
Loa Loa (eye worm) histone deacetylase 3 0.2311 1 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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