Detailed information for compound 228198

Basic information

Technical information
  • TDR Targets ID: 228198
  • Name: 4-(dimethylamino)-N-[(E)-(2-nitrophenyl)methy lideneamino]benzamide
  • MW: 312.323 | Formula: C16H16N4O3
  • H donors: 1 H acceptors: 3 LogP: 2.78 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)N(C)C)N/N=C/c1ccccc1[N+](=O)[O-]
  • InChi: 1S/C16H16N4O3/c1-19(2)14-9-7-12(8-10-14)16(21)18-17-11-13-5-3-4-6-15(13)20(22)23/h3-11H,1-2H3,(H,18,21)/b17-11+
  • InChiKey: HYILKPVTMKGTII-GZTJUZNOSA-N  

Network

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Synonyms

  • 4-(dimethylamino)-N-[(E)-(2-nitrophenyl)methyleneamino]benzamide
  • 4-(dimethylamino)-N-[(E)-(2-nitrobenzylidene)amino]benzamide
  • 4-dimethylamino-N-[(2-nitrophenyl)methylideneamino]benzamide
  • 4-dimethylamino-N-[(2-nitrophenyl)methyleneamino]benzamide
  • 4-dimethylamino-N-[(2-nitrobenzylidene)amino]benzamide

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) flap endonuclease-1 0.0057 0.0376 0.7871
Plasmodium falciparum flap endonuclease 1 0.0057 0.0376 0.836
Echinococcus granulosus DNA excision repair protein ERCC 1 0.0061 0.0439 0.0298
Entamoeba histolytica DNA repair and recombination protein, putative 0.0634 1 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0634 1 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0634 1 1
Brugia malayi ERCC4 domain containing protein 0.0043 0.0145 0.3863
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0634 1 1
Echinococcus multilocularis DNA excision repair protein ERCC 1 0.0061 0.0439 0.0298
Trichomonas vaginalis conserved hypothetical protein 0.0634 1 1
Echinococcus multilocularis flap endonuclease 1 0.0057 0.0376 0.0234
Giardia lamblia Rrm3p helicase 0.0634 1 1
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0057 0.0376 0.7871
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0634 1 1
Entamoeba histolytica DNA excision repair protein, putative 0.0061 0.0439 0.0298
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0634 1 1
Trichomonas vaginalis excision repair cross-complementing 1 ercc1, putative 0.0061 0.0439 0.0298
Schistosoma mansoni hypothetical protein 0.0634 1 1
Schistosoma mansoni excision repair cross-complementing 1 ercc1 0.0061 0.0439 0.0298
Toxoplasma gondii DNA repair protein rad10 subfamily protein 0.0061 0.0439 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0634 1 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0057 0.0376 0.0234
Brugia malayi Flap endonuclease-1 0.0057 0.0376 1
Echinococcus granulosus flap endonuclease 1 0.0057 0.0376 0.0234
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0634 1 1
Entamoeba histolytica Flap nuclease, putative 0.0057 0.0376 0.0234
Plasmodium vivax ERCC1 nucleotide excision repair protein, putative 0.0061 0.0439 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0634 1 1
Plasmodium vivax flap endonuclease 1, putative 0.0057 0.0376 0.7871
Entamoeba histolytica hypothetical protein, conserved 0.0634 1 1
Plasmodium falciparum ERCC1 nucleotide excision repair protein, putative 0.0061 0.0439 1
Schistosoma mansoni flap endonuclease-1 0.0052 0.0285 0.0142
Loa Loa (eye worm) helix-hairpin-helix domain-containing protein family protein 0.0061 0.0439 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 28.3 % In vitro inhibition of farnesyl transferase (FT) by using FT [3H]-SPA kit at the dose of 500 uM ChEMBL. 10669567
Inhibition (binding) = 28.3 % In vitro inhibition of farnesyl transferase (FT) by using FT [3H]-SPA kit at the dose of 500 uM ChEMBL. 10669567

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

1 literature reference was collected for this gene.

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