Detailed information for compound 667888

Basic information

Technical information
  • TDR Targets ID: 667888
  • Name: cyclohexyl 2-(4-methylsulfonyl-2-nitrophenyl) sulfinylacetate
  • MW: 389.444 | Formula: C15H19NO7S2
  • H donors: 0 H acceptors: 6 LogP: 1.94 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CS(=O)c1ccc(cc1[N+](=O)[O-])S(=O)(=O)C)OC1CCCCC1
  • InChi: 1S/C15H19NO7S2/c1-25(21,22)12-7-8-14(13(9-12)16(18)19)24(20)10-15(17)23-11-5-3-2-4-6-11/h7-9,11H,2-6,10H2,1H3
  • InChiKey: UEJZJMVUIVWINS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • cyclohexyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylacetate
  • 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid cyclohexyl ester
  • 2-(4-mesyl-2-nitro-phenyl)sulfinylacetic acid cyclohexyl ester
  • cyclohexyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylethanoate
  • ST5142809

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
Loa Loa (eye worm) hypothetical protein 0.0149 0.0313 0.0313
Loa Loa (eye worm) fibronectin type III domain-containing protein 0.0093 0.0046 0.0046
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1126 0.4998 1
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.1126 0.4998 0.4998
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.1126 0.4998 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.1126 0.4998 0.5
Schistosoma mansoni protein tyrosine phosphatase 0.0093 0.0046 0.0046
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1126 0.4998 1
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.2168 1 1
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.2168 1 1
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.1126 0.4998 0.4998
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0347 0.1263 0.2527
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0093 0.0046 0.0046
Onchocerca volvulus 0.0158 0.0358 0.0717
Echinococcus granulosus receptor type tyrosine protein phosphatase zeta 0.0093 0.0046 0.0046
Trypanosoma cruzi hypothetical protein, conserved 0.0347 0.1263 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase zeta 0.0093 0.0046 0.0046
Trypanosoma cruzi hypothetical protein, conserved 0.0347 0.1263 1
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.2168 1 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0093 0.0046 0.0046
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0093 0.0046 0.0046
Loa Loa (eye worm) protein-tyrosine phosphatase 0.2168 1 1
Schistosoma mansoni hypothetical protein 0.014 0.0269 0.0269
Echinococcus multilocularis receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type 0.0093 0.0046 0.0046
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0347 0.1263 0.2527
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0093 0.0046 0.0046
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1126 0.4998 1
Leishmania major hypothetical protein, conserved 0.0347 0.1263 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0093 0.0046 0.0046
Schistosoma mansoni receptor protein tyrosine phosphatase 0.0093 0.0046 0.0046
Echinococcus multilocularis Receptor type tyrosine protein phosphatase O 0.0093 0.0046 0.0046
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1126 0.4998 1
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0779 0.3334 0.5
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0093 0.0046 0.0046
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1126 0.4998 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.0313 0.0313
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0093 0.0046 0.0046
Loa Loa (eye worm) hypothetical protein 0.0149 0.0313 0.0313
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0093 0.0046 0.0046
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0347 0.1263 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0093 0.0046 0.0046
Onchocerca volvulus 0.014 0.0269 0.0539
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1126 0.4998 1
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.014 0.0269 0.0269
Loa Loa (eye worm) hypothetical protein 0.0233 0.0714 0.0714
Onchocerca volvulus 0.1126 0.4998 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1126 0.4998 1
Brugia malayi Protein-tyrosine phosphatase 0.0242 0.076 0.076
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1126 0.4998 1
Brugia malayi Thrombospondin type 1 domain containing protein 0.014 0.0269 0.0269
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0093 0.0046 0.0046

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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