Detailed information for compound 776726

Basic information

Technical information
  • TDR Targets ID: 776726
  • Name: 1'-ethyl-5'-nitrospiro[1,3-dioxolane-2,3'-ind ole]-2'-one
  • MW: 264.234 | Formula: C12H12N2O5
  • H donors: 0 H acceptors: 3 LogP: 0.68 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1c2ccc(cc2C2(C1=O)OCCO2)[N+](=O)[O-]
  • InChi: 1S/C12H12N2O5/c1-2-13-10-4-3-8(14(16)17)7-9(10)12(11(13)15)18-5-6-19-12/h3-4,7H,2,5-6H2,1H3
  • InChiKey: HKXAFIDGDHDIHP-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1'-ethyl-5'-nitro-spiro[1,3-dioxolane-2,3'-indoline]-2'-one
  • 1'-ethyl-5'-nitro-2'-spiro[1,3-dioxolane-2,3'-indoline]one
  • 1'-ethyl-5'-nitro-spiro[1,3-dioxolane-2,3'-indole]-2'-one
  • ZINC04302958
  • Oprea1_565444

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 aldehyde dehydrogenase 0.006 0.07 0.07
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.007 0.085 1
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.007 0.085 0.085
Schistosoma mansoni inositol monophosphatase 0.0036 0.0349 0.0349
Schistosoma mansoni hypothetical protein 0.0094 0.1211 0.1211
Plasmodium vivax NLI interacting factor-like phosphatase, putative 0.0013 0 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.07 0.07
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0349 0.4983
Echinococcus multilocularis hypothetical protein 0.0094 0.1211 0.1211
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.085 1
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.07 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.07 1
Schistosoma mansoni hypothetical protein 0.0094 0.1211 0.1211
Plasmodium falciparum NLI interacting factor-like phosphatase, putative 0.0013 0 0.5
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.007 0.085 0.085
Echinococcus granulosus serine:threonine protein kinase MARK2 0.0095 0.1222 0.1222
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.07 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0349 0.4106
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.07 0.824
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0349 0.086
Echinococcus granulosus maternal embryonic leucine zipper kinase 0.019 0.2652 0.2652
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0349 0.086
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.1222 0.1222
Schistosoma mansoni serine/threonine kinase 0.0285 0.406 0.406
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.07 1
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0349 0.0349
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0409 0.0409
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0349 0.4106
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.0095 0.1222 0.1222
Echinococcus granulosus calcium activated potassium channel 0.0095 0.1222 0.1222
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0349 0.4106
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0349 0.4106
Loa Loa (eye worm) inositol-1 0.0036 0.0349 0.086
Trichomonas vaginalis CAMK family protein kinase 0.019 0.2652 0.6531
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.085 1
Brugia malayi Kinase associated domain 1 family protein 0.0094 0.1211 0.2984
Echinococcus multilocularis calcium activated potassium channel 0.0095 0.1222 0.1222
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.007 0.085 1
Echinococcus multilocularis maternal embryonic leucine zipper kinase 0.019 0.2652 0.2652
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.1222 0.1222
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.07 0.07
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0349 0.4106
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0349 0.0349
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0349 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.1222 0.1222
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.007 0.085 0.2094
Schistosoma mansoni microtubule-associated protein tau 0.0682 1 1
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.0095 0.1222 0.1222
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.1222 0.1222
Schistosoma mansoni inositol monophosphatase 0.0036 0.0349 0.0349
Loa Loa (eye worm) CAMK/CAMKL/MELK protein kinase 0.0285 0.406 1
Giardia lamblia Nuclear LIM interactor-interacting factor 1 0.0013 0 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.085 1
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.1222 0.1222
Brugia malayi Inositol-1 0.0036 0.0349 0.086
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.07 0.07
Trichomonas vaginalis CAMK family protein kinase 0.0285 0.406 1
Echinococcus granulosus serine:threonine protein kinase MARK2 0.0095 0.1222 0.1222
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0349 0.086
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.0292 0.5
Trichomonas vaginalis CAMK family protein kinase 0.019 0.2652 0.6531
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.07 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.007 0.085 0.085
Plasmodium vivax NLI interacting factor-like phosphatase, putative 0.0013 0 0.5
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0409 0.0409
Brugia malayi Protein kinase domain containing protein 0.0285 0.406 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.007 0.085 0.2094
Echinococcus multilocularis microtubule associated protein 2 0.0682 1 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.1211 0.2984

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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