Detailed information for compound 826235

Basic information

Technical information
  • TDR Targets ID: 826235
  • Name: 2-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4- d][1,3]thiazol-2-yl)-(4-methoxyphenyl)amino]- N-(4-ethoxyphenyl)acetamide
  • MW: 475.581 | Formula: C22H25N3O5S2
  • H donors: 1 H acceptors: 3 LogP: 2.37 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=O)CN(C1=NC2C(S1)CS(=O)(=O)C2)c1ccc(cc1)OC
  • InChi: 1S/C22H25N3O5S2/c1-3-30-18-8-4-15(5-9-18)23-21(26)12-25(16-6-10-17(29-2)11-7-16)22-24-19-13-32(27,28)14-20(19)31-22/h4-11,19-20H,3,12-14H2,1-2H3,(H,23,26)
  • InChiKey: SXFHEMFGJSEVBL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl)-(4-methoxyphenyl)amino]-N-(4-ethoxyphenyl)acetamide
  • 2-[(5,5-diketo-3a,4,6,6a-tetrahydrothieno[3,4-d]thiazol-2-yl)-(4-methoxyphenyl)amino]-N-(4-ethoxyphenyl)acetamide
  • 2-[(5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)-(4-methoxyphenyl)amino]-N-(4-ethoxyphenyl)ethanamide

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
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.2747 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0123 0.1448 0.1448
Plasmodium falciparum lysophospholipase, putative 0.0069 0.0051 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7451 1
Echinococcus granulosus glutamate receptor 4 0.0173 0.2775 0.2775
Schistosoma mansoni glutamate receptor AMPA 0.0103 0.0939 0.6483
Echinococcus multilocularis glutamate receptor 4 0.0173 0.2775 0.2775
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.7451 0.5
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0103 0.0939 0.0939
Loa Loa (eye worm) hypothetical protein 0.0173 0.2775 0.5083
Trypanosoma brucei monoglyceride lipase, putative 0.0069 0.0051 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.7451 1
Trypanosoma brucei monoglyceride lipase, putative 0.0069 0.0051 0.5
Schistosoma mansoni glutamate receptor AMPA 0.0103 0.0939 0.6483
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0296 0.5968 0.5968
Echinococcus multilocularis glutamate receptor 2 0.0276 0.5458 0.5458
Leishmania major monoglyceride lipase, putative 0.0069 0.0051 0.5
Echinococcus granulosus glutamate receptor 1 0.0173 0.2775 0.2775
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0123 0.1448 0.1448
Echinococcus granulosus glutamate receptor 2 0.0258 0.4974 0.4974
Echinococcus multilocularis expressed protein 0.0451 1 1
Plasmodium falciparum lysophospholipase, putative 0.0069 0.0051 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7451 1
Echinococcus granulosus glutamate receptor 2 0.0296 0.5968 0.5968
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7451 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0123 0.1448 0.1448
Plasmodium vivax PST-A protein 0.0069 0.0051 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7451 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0123 0.1448 0.1448
Loa Loa (eye worm) hypothetical protein 0.0173 0.2775 0.5083
Schistosoma mansoni glutamate receptor kainate 0.0103 0.0939 0.6483
Plasmodium falciparum lysophospholipase, putative 0.0069 0.0051 0.5
Loa Loa (eye worm) glutamate receptor 1 0.0276 0.5458 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.2747 1
Echinococcus granulosus glutamate receptor subunit protein glur 0.0212 0.3768 0.3768
Loa Loa (eye worm) glutamate receptor 2 0.0103 0.0939 0.172
Echinococcus multilocularis glutamate receptor 2 0.0296 0.5968 0.5968
Plasmodium falciparum esterase, putative 0.0069 0.0051 0.5
Brugia malayi Glutamate receptor 1 precursor 0.0276 0.5458 1
Schistosoma mansoni glutamate receptor kainate 0.0103 0.0939 0.6483
Schistosoma mansoni glutamate receptor kainate 0.0103 0.0939 0.6483
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0123 0.1448 0.1448
Echinococcus granulosus glutamate NMDA receptor subunit 0.0103 0.0939 0.0939
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0296 0.5968 0.5968
Schistosoma mansoni glutamate receptor NMDA 0.0103 0.0939 0.6483
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.7451 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0123 0.1448 1
Schistosoma mansoni ATP-binding cassette transporter 0.0103 0.0939 0.6483
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7451 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0123 0.1448 0.1448
Trypanosoma cruzi monoglyceride lipase, putative 0.0069 0.0051 0.5
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.2747 1
Echinococcus multilocularis glutamate receptor 2 0.0258 0.4974 0.4974
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7451 1
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0212 0.3768 0.3768
Loa Loa (eye worm) hypothetical protein 0.0173 0.2775 0.5083
Brugia malayi Glutamate receptor 2 precursor 0.0276 0.5458 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7451 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.7451 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.7451 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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