Detailed information for compound 896821

Basic information

Technical information
  • TDR Targets ID: 896821
  • Name: 1-nitro-3-(4-nitrophenoxy)benzene
  • MW: 260.202 | Formula: C12H8N2O5
  • H donors: 0 H acceptors: 4 LogP: 3.11 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc(cc1)Oc1cccc(c1)[N+](=O)[O-]
  • InChi: 1S/C12H8N2O5/c15-13(16)9-4-6-11(7-5-9)19-12-3-1-2-10(8-12)14(17)18/h1-8H
  • InChiKey: RLCAMJXZACQENP-UHFFFAOYSA-N  

Network

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Synonyms

  • 2914-72-9
  • NSC45099
  • ZINC01677207
  • Oprea1_123440

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) O-glycosyl hydrolase family 30 protein 0.0254 0.2539 0.2539
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0254 0.2539 0.2349
Onchocerca volvulus 0.0436 0.4857 1
Loa Loa (eye worm) hypothetical protein 0.0287 0.2962 0.2962
Echinococcus multilocularis muscleblind protein 1 0.0145 0.1152 0.0926
Echinococcus multilocularis small conductance calcium activated potassium 0.0287 0.2962 0.2782
Trichomonas vaginalis glucosylceramidase, putative 0.0254 0.2539 1
Brugia malayi hypothetical protein 0.0436 0.4857 0.4726
Loa Loa (eye worm) hypothetical protein 0.0145 0.1152 0.1152
Trichomonas vaginalis glucosylceramidase, putative 0.0254 0.2539 1
Trypanosoma cruzi ion transport protein, putative 0.0104 0.0623 0.5
Loa Loa (eye worm) voltage-gated potassium channel 0.0075 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0436 0.4857 0.4857
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.1539 0.1027
Loa Loa (eye worm) hypothetical protein 0.0104 0.063 0.063
Leishmania major ion transport protein-like protein 0.0104 0.0623 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0176 0.1539 0.1027
Trichomonas vaginalis glucosylceramidase, putative 0.0254 0.2539 1
Echinococcus multilocularis muscleblind protein 0.0145 0.1152 0.0926
Schistosoma mansoni memapsin-2 (A01 family) 0.042 0.4653 0.4517
Loa Loa (eye worm) hypothetical protein 0.0436 0.4857 0.4857
Schistosoma mansoni voltage-gated potassium channel 0.0839 1 1
Brugia malayi Muscleblind-like protein 0.0145 0.1152 0.0926
Loa Loa (eye worm) hypothetical protein 0.0839 1 1
Schistosoma mansoni hypothetical protein 0.0287 0.2962 0.2782
Trypanosoma cruzi ion transport protein, putative 0.0104 0.0623 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0839 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0254 0.2539 1
Echinococcus multilocularis potassium voltage gated channel protein 0.0839 1 1
Echinococcus granulosus potassium voltage gated channel protein 0.0839 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0224 0.2154 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0799 0.9489 0.9476
Trichomonas vaginalis glucosylceramidase, putative 0.0254 0.2539 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.0783 0.0783
Loa Loa (eye worm) hypothetical protein 0.0145 0.1152 0.1152
Schistosoma mansoni calcium-activated potassium channel 0.0221 0.2115 0.1914
Loa Loa (eye worm) hypothetical protein 0.0075 0.0249 0.0249
Trichomonas vaginalis glucosylceramidase, putative 0.0254 0.2539 1
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0839 1 1
Echinococcus granulosus muscleblind protein 0.0145 0.1152 0.0926
Schistosoma mansoni calcium-activated potassium channel 0.0287 0.2962 0.2782
Echinococcus granulosus small conductance calcium activated potassium 0.0287 0.2962 0.2782

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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