Detailed information for compound 869065

Basic information

Technical information
  • TDR Targets ID: 869065
  • Name: methyl 2-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl) sulfonyl]propanoylamino]benzoate
  • MW: 434.486 | Formula: C19H18N2O6S2
  • H donors: 2 H acceptors: 5 LogP: 1.86 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccccc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)NC(=O)CS2
  • InChi: 1S/C19H18N2O6S2/c1-27-19(24)13-4-2-3-5-14(13)20-17(22)8-9-29(25,26)12-6-7-16-15(10-12)21-18(23)11-28-16/h2-7,10H,8-9,11H2,1H3,(H,20,22)(H,21,23)
  • InChiKey: CTVBGEFTYDRUKB-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[[1-oxo-3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propyl]amino]benzoic acid methyl ester
  • 2-[3-[(3-keto-4H-1,4-benzothiazin-6-yl)sulfonyl]propanoylamino]benzoic acid methyl ester

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
Brugia malayi Histone deacetylase family protein 0.0403 0.1621 0.3882
Loa Loa (eye worm) hypothetical protein 0.0312 0.1038 0.1791
Plasmodium falciparum histone deacetylase 2 0.0403 0.1621 1
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0669 0.3324 1
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) flavoprotein 1 0.0669 0.3324 1
Schistosoma mansoni histone deacetylase 4 5 0.0403 0.1621 0.3882
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0669 0.3324 1
Trypanosoma cruzi histone deacetylase, putative 0.0403 0.1621 0.3882
Plasmodium vivax histone deacetylase 2, putative 0.0403 0.1621 1
Echinococcus multilocularis histone deacetylase 6 0.0411 0.1672 0.4067
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0669 0.3324 1
Leishmania major histone deacetylase, putative 0.0403 0.1621 0.3882
Loa Loa (eye worm) hypothetical protein 0.0303 0.0987 0.1606
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0669 0.3324 1
Brugia malayi hypothetical protein 0.034 0.1222 0.2449
Schistosoma mansoni histone deacetylase 4 5 0.0403 0.1621 0.3882
Plasmodium vivax histone deacetylase, putative 0.0403 0.1621 1
Echinococcus granulosus NADH dehydrogenase ubiquinone flavoprotein 1 0.0669 0.3324 1
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.1713 1 1
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0669 0.3324 1
Schistosoma mansoni histone deacetylase hda2 0.0411 0.1672 0.4067
Entamoeba histolytica histone deacetylase, putative 0.0234 0.054 0.5
Brugia malayi NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor 0.0669 0.3324 1
Echinococcus granulosus histone deacetylase 0.0403 0.1621 0.3882
Loa Loa (eye worm) hypoxia-induced factor 1 0.0314 0.1053 0.1844
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase I subunit F 0.0669 0.3324 1
Plasmodium falciparum histone deacetylase, putative 0.0403 0.1621 1
Toxoplasma gondii histone deacetylase HDAC1 0.0403 0.1621 1
Trypanosoma cruzi histone deacetylase, putative 0.0403 0.1621 0.3882
Loa Loa (eye worm) NADH-ubiquinone oxidoreductase 51 kDa subunit 0.0669 0.3324 1
Giardia lamblia Histone deacetylase 0.0234 0.054 0.5
Trypanosoma brucei histone deacetylase 3 0.0403 0.1621 0.3882
Mycobacterium ulcerans NADH dehydrogenase subunit H 0.0317 0.1071 0.1071
Echinococcus granulosus histone deacetylase 6 0.0403 0.1621 0.3882
Loa Loa (eye worm) hypothetical protein 0.034 0.1222 0.2449
Echinococcus multilocularis histone deacetylase 0.0403 0.1621 0.3882
Loa Loa (eye worm) histone deacetylase 7A 0.0403 0.1621 0.3882
Treponema pallidum nitrogen fixation protein (rnfC) 0.0149 0 0.5
Mycobacterium ulcerans proteasome PrcA 0.1713 1 1
Loa Loa (eye worm) histone deacetylase 0.0403 0.1621 0.3882
Leishmania major NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0669 0.3324 1
Echinococcus granulosus histone deacetylase 6 0.0403 0.1621 0.3882
Echinococcus granulosus histone deacetylase 7 0.0403 0.1621 0.3882
Echinococcus granulosus NADH dehydrogenase subunit 1 0.0317 0.1071 0.1909
Echinococcus multilocularis histone deacetylase 6 0.0403 0.1621 0.3882
Echinococcus granulosus histone deacetylase 6 0.0411 0.1672 0.4067
Brugia malayi hypoxia-induced factor 1 0.0314 0.1053 0.1844
Trypanosoma cruzi histone deacetylase, putative 0.0403 0.1621 0.3882
Onchocerca volvulus NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog 0.0359 0.1339 0.5
Mycobacterium ulcerans NADH dehydrogenase I subunit F 0.0669 0.3324 0.3324
Trypanosoma brucei histone deacetylase 4 0.0403 0.1621 0.3882
Schistosoma mansoni hypothetical protein 0.0317 0.1071 0.1909
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative 0.0669 0.3324 1
Echinococcus multilocularis histone deacetylase 6 0.0403 0.1621 0.3882
Echinococcus multilocularis histone deacetylase 7 0.0403 0.1621 0.3882
Brugia malayi Histone deacetylase family protein 0.0403 0.1621 0.3882
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F) 0.0669 0.3324 0.3324
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H) 0.0317 0.1071 0.1071
Trypanosoma brucei histone deacetylase, putative 0.0403 0.1621 0.3882
Leishmania major histone deacetylase, putative 0.0403 0.1621 0.3882
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial 0.0669 0.3324 1

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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