Detailed information for compound 280731

Basic information

Technical information
  • TDR Targets ID: 280731
  • Name: ethylsulfonylbenzene
  • MW: 170.229 | Formula: C8H10O2S
  • H donors: 0 H acceptors: 2 LogP: 1.53 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCS(=O)(=O)c1ccccc1
  • InChi: 1S/C8H10O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
  • InChiKey: VBQUDDWATQWCPP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • esylbenzene
  • 599-70-2
  • 72428-03-6
  • 557560_ALDRICH
  • Ethyl phenyl sulfone
  • Benzene, (ethylsulfonyl)-
  • Sulfone, ethyl phenyl
  • ST5406102
  • (Ethylsulphonyl)benzene
  • EINECS 209-972-2
  • Benzene, methyl(methylsulfonyl)-
  • ZINC00394995

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
Echinococcus granulosus protein kinase c epsilon type 0.4273 1 1
Trichomonas vaginalis AGC family protein kinase 0.0988 0.0017 0.5
Echinococcus multilocularis serine:threonine protein kinase N2 0.347 0.7559 0.7555
Echinococcus multilocularis protein kinase c epsilon type 0.4273 1 1
Trichomonas vaginalis AGC family protein kinase 0.0988 0.0017 0.5
Loa Loa (eye worm) hypothetical protein 0.2334 0.4108 0.4098
Trichomonas vaginalis AGC family protein kinase 0.0988 0.0017 0.5
Brugia malayi Protein kinase domain containing protein 0.0988 0.0017 0.0017
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.2274 0.3925 0.3915
Trichomonas vaginalis AGC family protein kinase 0.0988 0.0017 0.5
Trypanosoma brucei rac serine-threonine kinase, putative 0.0988 0.0017 0.5
Echinococcus granulosus serine:threonine protein kinase N2 0.2514 0.4656 0.4646
Loa Loa (eye worm) hypothetical protein 0.3025 0.6206 0.62
Echinococcus multilocularis protein kinase c iota type 0.1938 0.2903 0.2891
Trichomonas vaginalis AGC family protein kinase 0.0988 0.0017 0.5
Trichomonas vaginalis AGC family protein kinase 0.0988 0.0017 0.5
Brugia malayi Protein kinase domain containing protein 0.0988 0.0017 0.0017
Trichomonas vaginalis AGC family protein kinase 0.0988 0.0017 0.5
Toxoplasma gondii AGC kinase 0.0988 0.0017 0.5
Echinococcus granulosus protein kinase C gamma type 0.3229 0.6828 0.6823
Echinococcus granulosus Protein kinase C brain isozyme 0.392 0.8926 0.8924
Loa Loa (eye worm) hypothetical protein 0.2334 0.4108 0.4098
Brugia malayi p70 ribosomal S6 kinase beta 0.0988 0.0017 0.0017
Onchocerca volvulus 0.2334 0.4108 0.5
Loa Loa (eye worm) hypothetical protein 0.2129 0.3485 0.3474
Echinococcus multilocularis RNA directed DNA polymerase 0.2129 0.3485 0.3474
Entamoeba histolytica PH domain containing protein kinase, putative 0.2514 0.4656 1
Brugia malayi Hr1 repeat family protein 0.0988 0.0017 0.0017
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.1001 0.0058 0.0041
Echinococcus multilocularis Protein kinase C, brain isozyme 0.392 0.8926 0.8924
Trichomonas vaginalis AGC family protein kinase 0.0988 0.0017 0.5
Loa Loa (eye worm) hypothetical protein 0.282 0.5583 0.5575
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.4273 1 1
Brugia malayi Protein kinase c protein 2 0.2964 0.6023 0.6023
Brugia malayi Protein kinase domain containing protein 0.0988 0.0017 0.0017
Trichomonas vaginalis AGC family protein kinase 0.0988 0.0017 0.5
Schistosoma mansoni serine/threonine protein kinase 0.4273 1 1
Loa Loa (eye worm) hypothetical protein 0.3322 0.7108 0.7103
Schistosoma mansoni serine/threonine protein kinase 0.392 0.8926 0.8924
Trichomonas vaginalis AGC family protein kinase 0.0988 0.0017 0.5
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.2129 0.3485 0.3474
Echinococcus granulosus RNA directed DNA polymerase 0.2129 0.3485 0.3474
Echinococcus multilocularis serine threonine protein kinase 0.3229 0.6828 0.6823
Schistosoma mansoni atypical protein kinase C 0.1957 0.2961 0.2949
Echinococcus granulosus protein kinase c iota type 0.1938 0.2903 0.2891
Trichomonas vaginalis AGC family protein kinase 0.0988 0.0017 0.5
Schistosoma mansoni serine/threonine protein kinase 0.392 0.8926 0.8924
Loa Loa (eye worm) hypothetical protein 0.2334 0.4108 0.4098

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0 uM In vitro inhibition of inducible vascular cell adhesion molecule-1 (VCAM-1) expression in Human aortic endothelial cells (HAEC); NE denotes no effect ChEMBL. 12639572

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

1 literature reference was collected for this gene.

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