Detailed information for compound 1468840

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 306.297 | Formula: C12H10N4O4S
  • H donors: 1 H acceptors: 5 LogP: 1.28 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S(=O)(c1ccc(cc1)[N+](=O)[O-])N/N=C/c1ccncc1
  • InChi: 1S/C12H10N4O4S/c17-16(18)11-1-3-12(4-2-11)21(19,20)15-14-9-10-5-7-13-8-6-10/h1-9,15H/b14-9+
  • InChiKey: VZCWCUAADWTCBE-NTEUORMPSA-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
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0009 0.0075 0.0409
Loa Loa (eye worm) TK/ROR protein kinase 0.001 0.0088 0.0088
Echinococcus granulosus dual specificity testis-specific protein kinase 0.0008 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0009 0.0075 0.0075
Echinococcus multilocularis aurora kinase A 0.0058 0.1827 0.1827
Schistosoma mansoni cell adhesion molecule 0.0013 0.0188 0.1027
Onchocerca volvulus Tyrosine kinase homolog 0.0151 0.5222 1
Plasmodium falciparum protein kinase, putative 0.0008 0.0017 0.0094
Loa Loa (eye worm) hypothetical protein 0.0009 0.0075 0.0075
Echinococcus granulosus twitchin 0.0012 0.018 0.018
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0282 1 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0188 0.0188
Echinococcus granulosus tyrosine protein kinase Lyn 0.0008 0.0017 0.0017
Toxoplasma gondii aurora kinase 0.0058 0.1827 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0275 0.9746 0.9746
Trichomonas vaginalis AGC family protein kinase 0.0058 0.1827 1
Brugia malayi Fibronectin type III domain containing protein 0.0009 0.0075 0.0075
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0058 0.1827 1
Trypanosoma brucei protein kinase, putative 0.0008 0.0017 0.0094
Plasmodium falciparum serine/threonine protein kinase, putative 0.0058 0.1827 1
Brugia malayi hypothetical protein 0.0009 0.0075 0.0075
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0013 0.0188 0.0188
Echinococcus multilocularis kinase protein 0.0275 0.9746 0.9746
Trypanosoma brucei aurora B kinase 0.0058 0.1827 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0275 0.9746 0.9746
Entamoeba histolytica protein kinase, putative 0.0058 0.1827 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0161 0.5592 0.5592
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0008 0.0017 0.0094
Brugia malayi serine/threonine kinase 12 0.0058 0.1827 0.1827
Loa Loa (eye worm) AUR protein kinase 0.0058 0.1827 0.1827
Schistosoma mansoni protein kinase 0.0008 0.0017 0.0094
Echinococcus granulosus neuroglian 0.0012 0.0163 0.0163
Entamoeba histolytica protein kinase domain containing protein 0.0058 0.1827 1
Giardia lamblia Aurora kinase 0.0058 0.1827 1
Schistosoma mansoni protein kinase 0.0058 0.1827 1
Echinococcus multilocularis Immunoglobulin 0.0009 0.0075 0.0075
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.0008 0.0017 0.0094
Echinococcus multilocularis roundabout 2 0.0015 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0009 0.0075 0.0075
Echinococcus granulosus 5'partial|3'partial|mitogen activated protein kinase kinase kinase 0.0275 0.9746 0.9746
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0058 0.1827 1
Echinococcus granulosus defective proboscis extension response 0.0009 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0009 0.0075 0.0075
Onchocerca volvulus 0.0141 0.4862 0.9311
Echinococcus multilocularis neuroglian 0.0012 0.0163 0.0163
Brugia malayi Immunoglobulin I-set domain containing protein 0.001 0.0088 0.0088
Schistosoma mansoni nephrin 0.0012 0.0163 0.0893
Schistosoma mansoni vesicular amine transporter 0.0009 0.0075 0.0409
Loa Loa (eye worm) hypothetical protein 0.0009 0.0075 0.0075
Brugia malayi serine/threonine protein kinase 6 0.0058 0.1827 0.1827
Trypanosoma cruzi aurora B kinase, putative 0.0058 0.1827 1
Echinococcus granulosus Immunoglobulin 0.0009 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0015 0.0276 0.0276
Echinococcus granulosus activin receptor type 0.0008 0.0017 0.0017
Entamoeba histolytica protein kinase , putative 0.0058 0.1827 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0075 0.0075
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.001 0.0088 0.0088
Echinococcus multilocularis kinase protein 0.0275 0.9746 0.9746
Trichomonas vaginalis AGC family protein kinase 0.0058 0.1827 1
Echinococcus multilocularis dual specificity testis specific protein kinase 0.0008 0.0017 0.0017
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0161 0.5592 0.5592
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0058 0.1827 0.1827
Brugia malayi serine/threonine-protein kinase 6 0.0058 0.1827 0.1827
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0282 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0058 0.1827 1
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0058 0.1827 1
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.001 0.0088 0.0088
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0009 0.0075 0.0075
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 7 0.0275 0.9746 0.9746
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0008 0.0017 0.0094
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0058 0.1827 1
Schistosoma mansoni protein kinase 0.0008 0.0017 0.0094
Entamoeba histolytica protein kinase, putative 0.0058 0.1827 1
Schistosoma mansoni protein kinase 0.0008 0.0017 0.0094
Schistosoma mansoni tyrosine kinase 0.0013 0.0201 0.1101
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0009 0.0075 0.0409
Loa Loa (eye worm) TKL/MLK/TAK1 protein kinase 0.0282 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0008 0.0017 0.0094
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0275 0.9746 0.9746
Echinococcus granulosus 3'partial|mitogen activated protein kinase kinase kinase 0.0275 0.9746 0.9746
Trichomonas vaginalis AGC family protein kinase 0.0058 0.1827 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0276 0.0276
Leishmania major protein kinase, putative 0.0058 0.1827 1
Loa Loa (eye worm) AUR protein kinase 0.0058 0.1827 0.1827
Echinococcus granulosus aurora kinase A 0.0058 0.1827 0.1827
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0008 0.0017 0.0094
Echinococcus multilocularis activin receptor type 0.0008 0.0017 0.0017
Brugia malayi Immunoglobulin I-set domain containing protein 0.0009 0.0075 0.0075
Leishmania major protein kinase, putative 0.0008 0.0017 0.0094
Echinococcus multilocularis Immunoglobulin 0.0009 0.0075 0.0075
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0058 0.1827 0.1827
Trichomonas vaginalis AGC family protein kinase 0.0058 0.1827 1
Loa Loa (eye worm) TK protein kinase 0.001 0.0088 0.0088
Echinococcus granulosus roundabout 2 0.0015 0.0276 0.0276
Loa Loa (eye worm) AUR protein kinase 0.0058 0.1827 0.1827

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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