Detailed information for compound 827736

Basic information

Technical information
  • TDR Targets ID: 827736
  • Name: 3-(4-tert-butylphenyl)sulfonyl-8-ethoxychrome n-2-one
  • MW: 386.461 | Formula: C21H22O5S
  • H donors: 0 H acceptors: 3 LogP: 4.92 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cccc2c1oc(=O)c(c2)S(=O)(=O)c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C21H22O5S/c1-5-25-17-8-6-7-14-13-18(20(22)26-19(14)17)27(23,24)16-11-9-15(10-12-16)21(2,3)4/h6-13H,5H2,1-4H3
  • InChiKey: XGUNTWVGAPCRQN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(4-tert-butylphenyl)sulfonyl-8-ethoxy-chromen-2-one
  • 3-(4-tert-butylphenyl)sulfonyl-8-ethoxy-2-chromenone
  • 3-(4-tert-butylphenyl)sulfonyl-8-ethoxy-coumarin
  • ZINC02686648

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
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.0765 0.0615 0.0615
Schistosoma mansoni pyruvate dehydrogenase 0.2373 1 1
Leishmania major heat shock protein 83-1 0.1033 0.2178 0.1865
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0726 0.0386 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.1033 0.2178 0.2178
Trypanosoma brucei developmentally regulated phosphoprotein 0.2373 1 1
Plasmodium vivax endoplasmin, putative 0.1033 0.2178 0.5
Trypanosoma brucei heat shock protein, putative 0.1033 0.2178 0.1666
Giardia lamblia Heat shock protein HSP 90-alpha 0.1033 0.2178 1
Trichomonas vaginalis heat shock protein, putative 0.0726 0.0386 0.1277
Trypanosoma brucei heat shock protein, putative 0.1033 0.2178 0.1666
Leishmania major developmentally regulated phosphoprotein-like protein 0.2373 1 1
Schistosoma mansoni pyruvate dehydrogenase 0.2066 0.8207 0.7708
Entamoeba histolytica heat shock protein 90, putative 0.1033 0.2178 0.5
Leishmania major heat shock protein 83-1 0.1033 0.2178 0.1865
Trypanosoma brucei Heat shock protein 83, putative 0.1033 0.2178 0.1666
Leishmania major heat shock protein 83-1 0.1033 0.2178 0.1865
Loa Loa (eye worm) hypothetical protein 0.2373 1 1
Toxoplasma gondii heat shock protein 90, putative 0.1033 0.2178 0.8723
Trypanosoma cruzi heat shock protein 85, putative 0.0726 0.0386 0.0386
Toxoplasma gondii heat shock protein HSP90 0.1033 0.2178 0.8723
Echinococcus multilocularis heat shock protein 0.1033 0.2178 0.1865
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0726 0.0386 0.5
Schistosoma mansoni pyruvate dehydrogenase 0.2066 0.8207 0.7708
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.2373 1 1
Leishmania major heat shock protein 83-1 0.1033 0.2178 0.1865
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.2373 1 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.1072 0.2407 1
Leishmania major heat shock protein 83-1 0.1033 0.2178 0.1865
Leishmania major heat shock protein 83-1 0.1033 0.2178 0.1865
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.0765 0.0615 0.0238
Trypanosoma brucei heat shock protein 90, putative 0.1033 0.2178 0.1666
Trypanosoma brucei heat shock protein, putative 0.1033 0.2178 0.1666
Treponema pallidum heat shock protein 90 0.0726 0.0386 0.5
Trypanosoma cruzi Heat shock protein 83, putative 0.1033 0.2178 0.2178
Leishmania major heat shock protein 83-1 0.1033 0.2178 0.1865
Trypanosoma cruzi heat shock protein 90, putative 0.0726 0.0386 0.0386
Leishmania major heat shock protein 83-1 0.1033 0.2178 0.1865
Entamoeba histolytica heat shock protein 90, putative 0.1033 0.2178 0.5
Leishmania major heat shock protein 83-1 0.1033 0.2178 0.1865
Leishmania major heat shock protein 83-1 0.1033 0.2178 0.1865
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0726 0.0386 0.5
Plasmodium falciparum heat shock protein 90 0.1033 0.2178 1
Trypanosoma cruzi heat shock protein 90, putative 0.1033 0.2178 0.2178
Trypanosoma brucei heat shock protein, putative 0.1033 0.2178 0.1666
Leishmania major heat shock protein 83-1 0.1033 0.2178 0.1865
Echinococcus granulosus heat shock protein 0.1033 0.2178 0.1865
Plasmodium vivax heat shock protein 86, putative 0.1033 0.2178 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.1033 0.2178 0.2178
Trichomonas vaginalis heat shock protein, putative 0.0726 0.0386 0.1277
Trypanosoma brucei heat shock protein 90, putative 0.1033 0.2178 0.1666
Leishmania major heat shock protein 83-1 0.1033 0.2178 0.1865
Trypanosoma brucei heat shock protein, putative 0.1033 0.2178 0.1666
Leishmania major heat shock protein 83-1 0.1033 0.2178 0.1865
Trichomonas vaginalis heat shock protein, putative 0.0726 0.0386 0.1277
Trypanosoma brucei heat shock protein, putative 0.1033 0.2178 0.1666
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.2373 1 1
Leishmania major heat shock protein 83-1 0.1033 0.2178 0.1865
Trypanosoma cruzi heat shock protein 85, putative 0.1033 0.2178 0.2178
Mycobacterium ulcerans heat shock protein 90 0.0726 0.0386 0.5
Trypanosoma brucei heat shock protein, putative 0.1033 0.2178 0.1666
Echinococcus granulosus heat shock protein 90 0.1033 0.2178 0.1865
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.2373 1 1
Leishmania major heat shock protein 83-1 0.1033 0.2178 0.1865
Trichomonas vaginalis heat shock protein, putative 0.1033 0.2178 1
Leishmania major heat shock protein 83-1 0.1033 0.2178 0.1865
Leishmania major heat shock protein 83-1 0.1033 0.2178 0.1865
Echinococcus multilocularis heat shock protein 90 0.1033 0.2178 0.1865
Trypanosoma brucei heat shock protein, putative 0.1033 0.2178 0.1666

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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