Detailed information for compound 163705

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 115.091 | Formula: C3H5N3O2
  • H donors: 2 H acceptors: 2 LogP: 0.27 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)C1NC=CN1
  • InChi: 1S/C3H5N3O2/c7-6(8)3-4-1-2-5-3/h1-5H
  • InChiKey: GKGNOFULUCCRLC-UHFFFAOYSA-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
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0395 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0209 0.5027 0.5027
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0209 0.5027 0.5027
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0395 1 1
Brugia malayi nuclear receptor NHR-88 0.0186 0.443 0.443
Brugia malayi ecdysone receptor 0.0186 0.443 0.443
Brugia malayi nuclear receptor NHR-67 0.0186 0.443 0.443
Schistosoma mansoni nuclear receptor nhr-48 0.0186 0.443 0.443
Schistosoma mansoni tar DNA-binding protein 0.0123 0.2742 0.2742
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0395 1 1
Loa Loa (eye worm) hypothetical protein 0.0186 0.443 0.443
Schistosoma mansoni coup transcription factor 0.0395 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0395 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0395 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0341 0.0341
Echinococcus granulosus ecdysone induced protein 78C 0.0395 1 1
Schistosoma mansoni nuclear hormone receptor 0.0395 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0186 0.443 0.443
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0395 1 1
Brugia malayi nuclear receptor RXR 0.0209 0.5027 0.5027
Loa Loa (eye worm) hypothetical protein 0.0186 0.443 0.443
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0186 0.443 0.443
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0395 1 1
Brugia malayi steroid hormone receptor 0.0395 1 1
Echinococcus granulosus FTZ F1 alpha 0.0395 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0 0.5
Brugia malayi Nuclear hormone receptor E75 0.0186 0.443 0.443
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0749 0.0749
Loa Loa (eye worm) hypothetical protein 0.0395 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0395 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0395 1 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0123 0.2742 0.2742
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0395 1 1
Brugia malayi nuclear hormone receptor 0.0395 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0395 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0209 0.5027 0.5027
Schistosoma mansoni thyroid hormone receptor 0.0395 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0186 0.443 0.443
Schistosoma mansoni tar DNA-binding protein 0.0123 0.2742 0.2742
Loa Loa (eye worm) hypothetical protein 0.0395 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0395 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0341 0.0341
Loa Loa (eye worm) hypothetical protein 0.0395 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0395 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.0341 0.0341
Loa Loa (eye worm) nuclear hormone receptor 0.0186 0.443 0.443
Brugia malayi hypothetical protein 0.0209 0.5027 0.5027
Schistosoma mansoni tar DNA-binding protein 0.0123 0.2742 0.2742
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0395 1 1
Loa Loa (eye worm) hypothetical protein 0.0186 0.443 0.443
Loa Loa (eye worm) hypothetical protein 0.0186 0.443 0.443
Brugia malayi nuclear hormone receptor 0.0186 0.443 0.443
Trichomonas vaginalis ap endonuclease, putative 0.002 0 0.5
Echinococcus granulosus Nuclear hormone receptor HR96 0.0186 0.443 0.443
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0395 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0749 0.0749
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0395 1 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0186 0.443 0.443
Loa Loa (eye worm) DR-78 0.0186 0.443 0.443
Loa Loa (eye worm) hypothetical protein 0.0395 1 1
Loa Loa (eye worm) hypothetical protein 0.0395 1 1
Brugia malayi tailless protein 0.0186 0.443 0.443
Schistosoma mansoni nuclear receptor 0.0186 0.443 0.443
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0395 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0395 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0186 0.443 0.443
Brugia malayi Nuclear hormone receptor E75 0.0186 0.443 0.443
Loa Loa (eye worm) hypothetical protein 0.0186 0.443 0.443
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0395 1 1
Schistosoma mansoni zinc finger protein 0.0186 0.443 0.443
Brugia malayi RNA recognition motif domain containing protein 0.0123 0.2742 0.2742
Schistosoma mansoni nuclear hormone receptor 0.0186 0.443 0.443
Schistosoma mansoni thyroid hormone receptor 0.0395 1 1
Toxoplasma gondii exonuclease III APE 0.002 0 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0209 0.5027 0.5027
Loa Loa (eye worm) hypothetical protein 0.0186 0.443 0.443
Loa Loa (eye worm) hypothetical protein 0.0395 1 1
Loa Loa (eye worm) hypothetical protein 0.0186 0.443 0.443
Echinococcus granulosus nuclear receptor nhr 48 0.0186 0.443 0.443
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0186 0.443 0.443
Brugia malayi conserved hypotetical protein 0.0186 0.443 0.443
Echinococcus multilocularis FTZ F1 alpha 0.0395 1 1
Loa Loa (eye worm) hypothetical protein 0.0209 0.5027 0.5027
Brugia malayi nuclear receptor NHR-88 0.0395 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0186 0.443 0.443
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0 0.5
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0186 0.443 0.443
Loa Loa (eye worm) RNA binding protein 0.0123 0.2742 0.2742
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.2552 0.2552
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0395 1 1
Schistosoma mansoni nuclear receptor 0.0186 0.443 0.443
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0395 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0395 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0395 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0395 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0395 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0395 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0209 0.5027 0.5027
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0395 1 1
Loa Loa (eye worm) hypothetical protein 0.0186 0.443 0.443
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0395 1 1
Brugia malayi hypothetical protein 0.0209 0.5027 0.5027
Brugia malayi hypothetical protein 0.0186 0.443 0.443
Loa Loa (eye worm) hypothetical protein 0.0048 0.0749 0.0749
Brugia malayi Nuclear hormone receptor-like 1 0.0395 1 1
Brugia malayi hypothetical protein 0.0186 0.443 0.443
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0395 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0395 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0395 1 1
Loa Loa (eye worm) hypothetical protein 0.0186 0.443 0.443
Loa Loa (eye worm) TAR-binding protein 0.0123 0.2742 0.2742
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0395 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0395 1 1
Loa Loa (eye worm) hypothetical protein 0.0395 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0395 1 1
Loa Loa (eye worm) hypothetical protein 0.0209 0.5027 0.5027
Loa Loa (eye worm) nuclear receptor NHR-67 0.0186 0.443 0.443
Echinococcus multilocularis tar DNA binding protein 0.0123 0.2742 0.2742
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0395 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0123 0.2742 0.2742
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0395 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0186 0.443 0.443
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0395 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0186 0.443 0.443
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0 0.5
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0186 0.443 0.443
Loa Loa (eye worm) hypothetical protein 0.0186 0.443 0.443
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0395 1 1
Loa Loa (eye worm) hypothetical protein 0.0186 0.443 0.443
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0186 0.443 0.443
Brugia malayi Nuclear hormone receptor-like 1 0.0209 0.5027 0.5027
Loa Loa (eye worm) hypothetical protein 0.0186 0.443 0.443
Schistosoma mansoni tar DNA-binding protein 0.0123 0.2742 0.2742
Brugia malayi RNA binding protein 0.0123 0.2742 0.2742
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0186 0.443 0.443
Loa Loa (eye worm) hypothetical protein 0.0209 0.5027 0.5027
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.2552 0.2552
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0395 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0395 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0209 0.5027 0.5027
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0395 1 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0186 0.443 0.443
Brugia malayi TAR-binding protein 0.0123 0.2742 0.2742
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0395 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0186 0.443 0.443
Loa Loa (eye worm) hypothetical protein 0.0186 0.443 0.443
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0395 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0395 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0395 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0395 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0395 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0186 0.443 0.443
Loa Loa (eye worm) hypothetical protein 0.0209 0.5027 0.5027
Loa Loa (eye worm) hypothetical protein 0.0209 0.5027 0.5027
Echinococcus multilocularis thyroid hormone receptor alpha 0.0395 1 1
Onchocerca volvulus 0.0395 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0186 0.443 0.443
Echinococcus granulosus tar DNA binding protein 0.0123 0.2742 0.2742
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0749 0.0749
Brugia malayi nuclear receptor RXR 0.0186 0.443 0.443
Brugia malayi MH2 domain containing protein 0.0116 0.2552 0.2552
Loa Loa (eye worm) hypothetical protein 0.0395 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0186 0.443 0.443
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0395 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0395 1 1

Activities

Activity type Activity value Assay description Source Reference
pKa = -0.81 Dissociation constant (pKa) ChEMBL. 8411009

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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