Detailed information for compound 1654721

Basic information

Technical information
  • TDR Targets ID: 1654721
  • Name: ethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amin o]-2-oxoacetate
  • MW: 294.326 | Formula: C13H14N2O4S
  • H donors: 1 H acceptors: 3 LogP: 2.88 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc2c(c1)sc(n2)NC(=O)C(=O)OCC
  • InChi: 1S/C13H14N2O4S/c1-3-18-8-5-6-9-10(7-8)20-13(14-9)15-11(16)12(17)19-4-2/h5-7H,3-4H2,1-2H3,(H,14,15,16)
  • InChiKey: JBKKYTGZESQHRK-UHFFFAOYSA-N  

Network

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Synonyms

  • ethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-acetate
  • 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoacetic acid ethyl ester
  • 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-acetic acid ethyl ester
  • ethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethanoate
  • N-(6-Ethoxy-benzothiazol-2-yl)-oxalamic acid ethyl ester
  • BAS 07856731
  • SBB005223
  • ZINC04201799

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
Toxoplasma gondii flavodoxin domain-containing protein 0.015 0.1213 0.5
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0303 0.6589 1
Entamoeba histolytica type A flavoprotein, putative 0.0116 0 0.5
Brugia malayi flavodoxin family protein 0.0303 0.6589 0.6589
Treponema pallidum flavodoxin 0.0116 0 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.0187 0.2507 0.2507
Entamoeba histolytica type A flavoprotein, putative 0.0116 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0142 0.0939 0.0939
Trypanosoma brucei C-8 sterol isomerase, putative 0.0399 1 1
Loa Loa (eye worm) hypothetical protein 0.0303 0.6589 0.6589
Loa Loa (eye worm) FAD binding domain-containing protein 0.0303 0.6589 0.6589
Plasmodium falciparum nitric oxide synthase, putative 0.0303 0.6589 1
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0303 0.6589 0.6589
Giardia lamblia Nitric oxide synthase, inducible 0.0268 0.5376 0.5
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0303 0.6589 0.6589
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0399 1 1
Plasmodium vivax flavodoxin domain containing protein 0.0268 0.5376 0.8159
Echinococcus granulosus methionine synthase reductase 0.0187 0.2507 0.2776
Entamoeba histolytica type A flavoprotein, putative 0.0116 0 0.5
Brugia malayi FAD binding domain containing protein 0.0303 0.6589 0.6589
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0303 0.6589 0.6589
Schistosoma mansoni NADPH flavin oxidoreductase 0.0152 0.1294 0.0629
Trichomonas vaginalis sulfite reductase, putative 0.0303 0.6589 1
Brugia malayi FAD binding domain containing protein 0.0187 0.2507 0.2507
Loa Loa (eye worm) hypothetical protein 0.0399 1 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0303 0.6589 1
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0303 0.6589 0.6589
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0303 0.6589 0.6589
Loa Loa (eye worm) hypothetical protein 0.0142 0.0939 0.0939
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0303 0.6589 0.6589
Loa Loa (eye worm) hypothetical protein 0.0204 0.3116 0.3116
Leishmania major p450 reductase, putative 0.0303 0.6589 0.6589
Entamoeba histolytica type A flavoprotein, putative 0.0116 0 0.5
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0303 0.6589 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0303 0.6589 0.6589
Entamoeba histolytica type A flavoprotein, putative 0.0116 0 0.5
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0303 0.6589 1
Leishmania major cytochrome P450 reductase, putative 0.0268 0.5376 0.5376
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0303 0.6589 1
Leishmania major C-8 sterol isomerase-like protein 0.0399 1 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0303 0.6589 0.6589
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0187 0.2507 0.2776
Giardia lamblia Hypothetical protein 0.0268 0.5376 0.5
Echinococcus multilocularis methionine synthase reductase 0.0187 0.2507 0.2776
Chlamydia trachomatis sulfite reductase 0.0187 0.2507 0.5
Schistosoma mansoni diflavin oxidoreductase 0.015 0.1213 0.0485
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0303 0.6589 0.5
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0268 0.5376 0.8159
Toxoplasma gondii flavodoxin domain-containing protein 0.015 0.1213 0.5
Trypanosoma cruzi p450 reductase, putative 0.0303 0.6589 0.6589
Schistosoma mansoni cytochrome P450 reductase 0.0303 0.6589 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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