Detailed information for compound 1812287

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 286.284 | Formula: C11H18N4O5
  • H donors: 0 H acceptors: 4 LogP: -0.02 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)/N=C(\N(C(=O)C)C)/N(C(=O)C)CC1COCC1
  • InChi: 1S/C11H18N4O5/c1-8(16)13(3)11(12-15(18)19)14(9(2)17)6-10-4-5-20-7-10/h10H,4-7H2,1-3H3/b12-11+
  • InChiKey: JNNXMNBCQLKFOB-VAWYXSNFSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.091 0.5
Schistosoma mansoni tar DNA-binding protein 0.0066 0.4591 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.3289 0.3289
Echinococcus multilocularis tar DNA binding protein 0.0066 0.4591 1
Leishmania major hypothetical protein, conserved 0.0026 0.091 0.5
Brugia malayi hypothetical protein 0.0017 0.0048 0.0048
Schistosoma mansoni hypothetical protein 0.0036 0.1767 0.3848
Brugia malayi hypothetical protein 0.0026 0.091 0.091
Brugia malayi hypothetical protein 0.0042 0.2344 0.2344
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.2344 0.5106
Entamoeba histolytica hypothetical protein 0.0042 0.2344 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.1767 0.1767
Entamoeba histolytica hypothetical protein 0.0042 0.2344 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.091 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.091 0.5
Loa Loa (eye worm) RNA binding protein 0.0066 0.4591 0.4591
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.3289 0.3289
Loa Loa (eye worm) hypothetical protein 0.0026 0.091 0.091
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.091 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.3289 0.3289
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.091 0.5
Echinococcus granulosus tar DNA binding protein 0.0066 0.4591 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.4591 1
Entamoeba histolytica hypothetical protein 0.0042 0.2344 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.2344 0.5106
Entamoeba histolytica hypothetical protein 0.0042 0.2344 0.5
Schistosoma mansoni tar DNA-binding protein 0.0066 0.4591 1
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.2344 0.5106
Schistosoma mansoni hypothetical protein 0.0042 0.2344 0.5106
Brugia malayi RNA binding protein 0.0066 0.4591 0.4591
Loa Loa (eye worm) TAR-binding protein 0.0066 0.4591 0.4591
Loa Loa (eye worm) transcription factor SMAD2 0.0125 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.4591 0.4591
Schistosoma mansoni tar DNA-binding protein 0.0066 0.4591 1
Brugia malayi TAR-binding protein 0.0066 0.4591 0.4591
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.091 0.5
Schistosoma mansoni tar DNA-binding protein 0.0066 0.4591 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.1767 0.1767
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.4591 0.4591
Loa Loa (eye worm) hypothetical protein 0.0052 0.3289 0.3289
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.091 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Binding affinity to Laodelphax striatella (small brown planthopper) nicotinic acetylcholine receptor ChEMBL. 20919736
Activity (binding) Binding affinity to Nephotettix cincticeps (green rice leafhopper) nicotinic acetylcholine receptor ChEMBL. 20919736

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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