Detailed information for compound 76428

Basic information

Technical information
  • TDR Targets ID: 76428
  • Name: 1-ethylsulfinyl-N-hydroxy-N-methylformamide
  • MW: 151.184 | Formula: C4H9NO3S
  • H donors: 1 H acceptors: 3 LogP: -0.01 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC[S+](C(=O)N(O)C)[O-]
  • InChi: 1S/C4H9NO3S/c1-3-9(8)4(6)5(2)7/h7H,3H2,1-2H3
  • InChiKey: NPIJFOVAUPVWTH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-ethylsulfinyl-N-hydroxy-N-methyl-formamide
  • 1-ethylsulfinyl-N-hydroxy-N-methyl-methanamide

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 Nuclear hormone receptor family member nhr-31 0.005 0.0759 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.005 0.0759 0.0759
Brugia malayi ecdysteroid receptor 0.005 0.0759 1
Brugia malayi Nuclear hormone receptor-like 1 0.0026 0.0081 0.1071
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0026 0.0081 0.021
Loa Loa (eye worm) hypothetical protein 0.005 0.0759 0.858
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.005 0.0759 0.858
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.005 0.0759 0.0759
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.005 0.0759 0.0759
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.005 0.0759 0.858
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.005 0.0759 0.858
Schistosoma mansoni steroid hormone receptor ad4bp 0.005 0.0759 0.196
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.005 0.0759 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0157 0.3875 0.3875
Brugia malayi nuclear receptor RXR 0.0026 0.0081 0.1071
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.005 0.0759 0.858
Echinococcus multilocularis FTZ F1 alpha 0.005 0.0759 0.0759
Loa Loa (eye worm) hypothetical protein 0.0026 0.0081 0.0919
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.005 0.0759 0.0759
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.005 0.0759 1
Onchocerca volvulus 0.0054 0.0885 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.005 0.0759 0.858
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0026 0.0081 0.0081
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.005 0.0759 0.858
Onchocerca volvulus Protein ultraspiracle homolog 0.005 0.0759 0.858
Schistosoma mansoni RAR-like nuclear receptor 0.005 0.0759 0.196
Echinococcus granulosus nuclear factor of activated T cells 5 0.008 0.1649 0.1649
Echinococcus multilocularis tumor protein p63 0.0368 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0157 0.3875 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0081 0.0919
Brugia malayi Nuclear hormone receptor family member nhr-19 0.005 0.0759 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0759 0.858
Loa Loa (eye worm) hypothetical protein 0.0026 0.0081 0.0919
Onchocerca volvulus Bile acid receptor homolog 0.005 0.0759 0.858
Loa Loa (eye worm) hypothetical protein 0.0054 0.0885 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0759 0.858
Brugia malayi hypothetical protein 0.0026 0.0081 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-25 0.005 0.0759 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0026 0.0081 0.021
Loa Loa (eye worm) hypothetical protein 0.005 0.0759 0.858
Echinococcus granulosus nuclear receptor 2DBD gamma 0.005 0.0759 0.0759
Brugia malayi nuclear hormone receptor 0.005 0.0759 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0026 0.0081 0.0081
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.005 0.0759 0.0759
Echinococcus multilocularis nuclear factor of activated T cells 5 0.008 0.1649 0.1649
Brugia malayi Nuclear hormone receptor family member nhr-19 0.005 0.0759 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.005 0.0759 0.0759
Loa Loa (eye worm) hypothetical protein 0.0026 0.0081 0.0919
Onchocerca volvulus 0.005 0.0759 0.858
Schistosoma mansoni retinoid-x-receptor (RXR) 0.005 0.0759 0.196
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0026 0.0081 0.0919
Loa Loa (eye worm) hypothetical protein 0.0026 0.0081 0.0919
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.005 0.0759 0.858
Loa Loa (eye worm) hypothetical protein 0.005 0.0759 0.858
Brugia malayi Nuclear hormone receptor-like 1 0.0026 0.0081 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-14 0.005 0.0759 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.005 0.0759 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.005 0.0759 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.005 0.0759 1
Brugia malayi steroid hormone receptor 0.005 0.0759 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.005 0.0759 0.196
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.005 0.0759 0.0759
Brugia malayi Nuclear hormone receptor family member nhr-3 0.005 0.0759 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.005 0.0759 0.0759
Loa Loa (eye worm) hypothetical protein 0.005 0.0759 0.858
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.005 0.0759 0.196
Brugia malayi Steroid receptor seven-up type 2 0.005 0.0759 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.005 0.0759 0.0759
Brugia malayi photoreceptor-specific nuclear receptor 0.005 0.0759 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0131 0.3115 0.3115
Echinococcus granulosus FTZ F1 alpha 0.005 0.0759 0.0759
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0885 0.2284
Schistosoma mansoni nuclear hormone receptor 0.005 0.0759 0.196
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.005 0.0759 0.0759
Echinococcus multilocularis ecdysone induced protein 78C 0.005 0.0759 0.0759
Brugia malayi hypothetical protein 0.0026 0.0081 0.1071
Echinococcus granulosus ecdysone induced protein 78C 0.005 0.0759 0.0759
Schistosoma mansoni coup transcription factor 0.005 0.0759 0.196
Echinococcus multilocularis thyroid hormone receptor alpha 0.005 0.0759 0.0759
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.005 0.0759 0.0759
Loa Loa (eye worm) steroid hormone receptor 0.005 0.0759 0.858
Schistosoma mansoni thyroid hormone receptor 0.005 0.0759 0.196
Loa Loa (eye worm) hypothetical protein 0.005 0.0759 0.858
Schistosoma mansoni Tr4/Tr2 (homologue) 0.005 0.0759 0.196
Brugia malayi nuclear receptor NHR-88 0.005 0.0759 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.005 0.0759 0.196
Brugia malayi Nuclear hormone receptor family member nhr-40 0.005 0.0759 1
Brugia malayi Nuclear hormone receptor-like 1 0.005 0.0759 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.005 0.0759 0.858
Brugia malayi Nuclear hormone receptor family member nhr-41 0.005 0.0759 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0759 0.858
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.005 0.0759 0.196
Schistosoma mansoni thyroid hormone receptor 0.005 0.0759 0.196

Activities

Activity type Activity value Assay description Source Reference
k2 (ADMET) = 0.59 mM-1 min-1 Second-order rate constant for acyl-interchange reactions between glutathione and the compound ChEMBL. 10346934

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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