Detailed information for compound 1525837

Basic information

Technical information
  • TDR Targets ID: 1525837
  • Name: 1-methylsulfinyldodecane
  • MW: 232.426 | Formula: C13H28OS
  • H donors: 1 H acceptors: 1 LogP: 5.99 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCC[S+](C)[O-]
  • InChi: 1S/C13H28OS/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14/h3-13H2,1-2H3
  • InChiKey: CJPDBKNETSCHCH-UHFFFAOYSA-N  

Network

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Synonyms

  • laurylsulfinylmethane
  • 3079-30-9
  • 641588_ALDRICH
  • Dodecyl methyl sulfoxide
  • 1-(Methylsulphinyl)dodecane
  • DODECYLMETHYLSULFOXIDE
  • EINECS 221-369-6
  • Dodecane, 1-(methylsulfinyl)-
  • Sulfoxide, dodecyl methyl

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
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0011 0 0.5
Leishmania major oxidoreductase, putative 0.0011 0 0.5
Echinococcus granulosus mitochondrial trans 2 enoyl coenzyme A reductase 0.0011 0 0.5
Loa Loa (eye worm) ShTK domain-containing protein 0.0526 0.2071 1
Leishmania major oxidoreductase-like protein 0.0011 0 0.5
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0011 0 0.5
Brugia malayi Alcohol dehydrogenase class III 0.0088 0.0311 0.1503
Onchocerca volvulus 0.0526 0.2071 1
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0526 0.2071 1
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0088 0.0311 1
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0011 0 0.5
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0088 0.0311 1
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0011 0 0.5
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0088 0.0311 0.1503
Leishmania major d-xylulose reductase, putative 0.0011 0 0.5
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0526 0.2071 1
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0088 0.0311 1
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0011 0 0.5
Mycobacterium tuberculosis Possible zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0078 0.0268 0.8612
Trypanosoma brucei oxidoreductase, putative 0.0011 0 0.5
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0088 0.0311 1
Leishmania major zinc binding dehydrogenase-like protein 0.0011 0 0.5
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0088 0.0311 1
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0088 0.0311 1
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR 0.0088 0.0311 1
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0011 0 0.5
Schistosoma mansoni alcohol dehydrogenase 0.0088 0.0311 0.0311
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0011 0 0.5
Echinococcus multilocularis mitochondrial trans 2 enoyl coenzyme A reductase 0.0011 0 0.5
Loa Loa (eye worm) tyrosinase 1 0.0526 0.2071 1
Trypanosoma brucei oxidoreductase, putative 0.0011 0 0.5
Leishmania major quinone oxidoreductase, putative 0.0011 0 0.5
Schistosoma mansoni tyrosinase precursor 0.2501 1 1
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0011 0 0.5
Onchocerca volvulus Putative alcohol dehydrogenase 0.0088 0.0311 0.1503
Trypanosoma cruzi oxidoreductase, putative 0.0011 0 0.5
Entamoeba histolytica NADP-dependent alcohol dehydrogenase, putative 0.0011 0 0.5
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0011 0 0.5
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0088 0.0311 1
Loa Loa (eye worm) hypothetical protein 0.0526 0.2071 1
Loa Loa (eye worm) ShTK domain-containing protein 0.0526 0.2071 1
Entamoeba histolytica NADP-dependent alcohol dehydrogenase 0.0011 0 0.5
Leishmania major NADP-dependent alcohol dehydrogenase, putative 0.0011 0 0.5
Wolbachia endosymbiont of Brugia malayi NADPH:quinone reductase 0.0011 0 0.5
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase (E subunit) AdhE1 0.0078 0.0268 0.8612
Onchocerca volvulus 0.0526 0.2071 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0526 0.2071 1
Brugia malayi Common central domain of tyrosinase family protein 0.0526 0.2071 1
Onchocerca volvulus 0.0526 0.2071 1
Trypanosoma cruzi oxidoreductase, putative 0.0011 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0526 0.2071 1
Brugia malayi ShTK domain containing protein 0.0526 0.2071 1
Onchocerca volvulus 0.0526 0.2071 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0526 0.2071 1
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0011 0 0.5

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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