Detailed information for compound 832688

Basic information

Technical information
  • TDR Targets ID: 832688
  • Name: [3-(benzoyl)-2-ethyl-1,1-dioxobenzo[e]thiazin -4-yl] 2-acetyloxybenzoate
  • MW: 491.512 | Formula: C26H21NO7S
  • H donors: 0 H acceptors: 5 LogP: 4 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1C(=C(OC(=O)c2ccccc2OC(=O)C)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1
  • InChi: 1S/C26H21NO7S/c1-3-27-23(24(29)18-11-5-4-6-12-18)25(20-14-8-10-16-22(20)35(27,31)32)34-26(30)19-13-7-9-15-21(19)33-17(2)28/h4-16H,3H2,1-2H3
  • InChiKey: BQFYWWZZNSPAOL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [3-(benzoyl)-2-ethyl-1,1-dioxo-benzo[e]thiazin-4-yl] 2-acetoxybenzoate
  • 2-acetoxybenzoic acid [2-ethyl-1,1-dioxo-3-(oxo-phenylmethyl)-4-benzo[e]thiazinyl] ester
  • 2-acetoxybenzoic acid [3-(benzoyl)-2-ethyl-1,1-diketo-benzo[e]thiazin-4-yl] ester
  • (2-ethyl-1,1-dioxo-3-phenylcarbonyl-benzo[e][1,2]thiazin-4-yl) 2-acetyloxybenzoate

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 dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0313 0.1234
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0523 0.1763
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0523 0.1763
Loa Loa (eye worm) hypothetical protein 0.0021 0.0523 0.1111
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0313 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0271 0.0733
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0523 0.1763
Brugia malayi Thioredoxin reductase 0.0053 0.254 1
Plasmodium falciparum glutathione reductase 0.0053 0.254 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0018 0.0313 0.0056
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0523 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0313 0.0186
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0523 0.1763
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0313 0.0186
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0523 0.1763
Giardia lamblia DINP protein human, muc B family 0.0021 0.0523 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0018 0.0313 0.0186
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.012 0.6906 0.8844
Echinococcus multilocularis thioredoxin glutathione reductase 0.0053 0.254 1
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.0313 0.0186
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0523 0.1111
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0523 0.1111
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0523 0.206
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0313 0.0186
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0523 0.1763
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0523 0.1763
Plasmodium falciparum thioredoxin reductase 0.0018 0.0313 0.0186
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0053 0.254 0.3025
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0313 0.0186
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0523 0.0259
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0313 0.0043
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0018 0.0313 0.0186
Mycobacterium tuberculosis Putative ferredoxin reductase 0.012 0.6906 0.8844
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.254 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0133 0.7773 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0523 0.1763
Plasmodium falciparum glutathione reductase 0.0018 0.0313 0.0186
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0313 0.0186
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.0313 0.5
Leishmania major DNA polymerase eta, putative 0.0021 0.0523 0.1111
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0313 0.0186
Leishmania major trypanothione reductase 0.0053 0.254 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0523 0.1111
Mycobacterium tuberculosis Probable reductase 0.012 0.6906 0.8844
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0523 0.1763
Echinococcus multilocularis dna polymerase eta 0.0021 0.0523 0.1111
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0523 0.1111
Leishmania major DNA polymerase kappa, putative 0.0021 0.0523 0.1111
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0523 0.0336
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0523 0.1111
Brugia malayi isocitrate dehydrogenase 0.0018 0.0271 0.1068
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0523 0.1111
Toxoplasma gondii thioredoxin reductase 0.0053 0.254 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0523 0.1111
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.0313 0.0186
Brugia malayi glutathione reductase 0.0053 0.254 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0053 0.254 1
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0523 0.1763
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0523 0.1111
Loa Loa (eye worm) thioredoxin reductase 0.0053 0.254 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0018 0.0313 0.0186
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0523 0.0259
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0018 0.0313 0.0186
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0313 0.0186
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0523 0.1763
Plasmodium vivax glutathione reductase, putative 0.0053 0.254 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0523 0.1763
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0313 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0313 0.0186
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0523 1
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0271 0.1068
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0313 0.0186
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0523 1
Plasmodium falciparum thioredoxin reductase 0.0053 0.254 1
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0523 0.206
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0018 0.0313 0.0906
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.012 0.6906 0.8844
Trypanosoma brucei trypanothione reductase 0.0053 0.254 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0523 0.1763
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.0271 0.0733
Trypanosoma brucei unspecified product 0.0021 0.0523 0.1763
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0523 1
Trypanosoma cruzi trypanothione reductase, putative 0.0018 0.0313 0.0186
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0313 0.0186
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0523 0.1111
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0133 0.7773 1
Treponema pallidum NADH oxidase 0.0018 0.0313 0.5
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.0313 0.0186
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0523 0.1763
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0133 0.7773 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0313 0.0906
Mycobacterium tuberculosis Probable oxidoreductase 0.0133 0.7773 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.0313 0.0186
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.012 0.6906 0.8844
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0313 0.0186
Plasmodium vivax thioredoxin reductase, putative 0.0053 0.254 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0523 0.0336
Echinococcus granulosus dna polymerase kappa 0.0021 0.0523 0.1111
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0523 0.5
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0018 0.0313 0.0906
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0523 0.1111
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0313 0.0186
Mycobacterium tuberculosis Probable dehydrogenase 0.012 0.6906 0.8844
Loa Loa (eye worm) glutathione reductase 0.0053 0.254 1
Echinococcus granulosus dna polymerase eta 0.0021 0.0523 0.1111
Schistosoma mansoni DNA polymerase eta 0.0021 0.0523 0.0259
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0313 0.0906

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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