Detailed information for compound 818216

Basic information

Technical information
  • TDR Targets ID: 818216
  • Name: 7-nitro-3-(3-nitrophenyl)-2H-1,2,4-benzoxadia zine
  • MW: 300.226 | Formula: C13H8N4O5
  • H donors: 1 H acceptors: 4 LogP: 2.43 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc2c(c1)ONC(=N2)c1cccc(c1)[N+](=O)[O-]
  • InChi: 1S/C13H8N4O5/c18-16(19)9-3-1-2-8(6-9)13-14-11-5-4-10(17(20)21)7-12(11)22-15-13/h1-7H,(H,14,15)
  • InChiKey: XIADEBZGGYXMMJ-UHFFFAOYSA-N  

Network

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Synonyms

  • 7-Nitro-3-(3-nitro-phenyl)-4H-benzo[1,2,4]oxadiazine
  • BAS 01257470
  • CBMicro_014199
  • BIM-0014273.P001
  • ZINC03878806

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
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0087 0.2759 0.4865
Echinococcus granulosus furin 0.0143 0.5371 1
Loa Loa (eye worm) hypothetical protein 0.0143 0.5371 0.5354
Echinococcus multilocularis 0.0115 0.4083 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0087 0.2759 1
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0087 0.2759 0.6515
Brugia malayi Nuclear hormone receptor-like 1 0.0238 0.9783 0.9695
Loa Loa (eye worm) hypothetical protein 0.0237 0.9758 0.9973
Echinococcus multilocularis neuroendocrine convertase 2 0.009 0.2896 0.6877
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0087 0.2759 1
Trypanosoma brucei RNA helicase, putative 0.0202 0.8114 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0034 0.0285 0.1032
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0143 0.5371 0.6619
Giardia lamblia High cysteine membrane protein Group 2 0.0053 0.1186 1
Schistosoma mansoni hypothetical protein 0.0202 0.8114 1
Brugia malayi Nuclear hormone receptor-like 1 0.0238 0.9783 0.9695
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0034 0.0285 0.0351
Brugia malayi endoprotease bli-4 precursor 0.0143 0.5371 0.3483
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0034 0.0285 0.1032
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0034 0.0285 0.1032
Loa Loa (eye worm) endoprotease bli-4 0.0143 0.5371 0.5354
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0034 0.0285 0.1032
Loa Loa (eye worm) hypothetical protein 0.0056 0.1324 0.1094
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0034 0.0285 0.1032
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0238 0.9783 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0034 0.0285 0.1032
Schistosoma mansoni furin-1 (S08 family) 0.0062 0.1608 0.1982
Echinococcus granulosus neuroendocrine convertase 2 0.009 0.2896 0.5135
Brugia malayi celfurPC protein 0.0115 0.4083 0.167

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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