Detailed information for compound 282156

Basic information

Technical information
  • TDR Targets ID: 282156
  • Name: 1-(2-methoxypropan-2-ylperoxy)hexadecane
  • MW: 330.546 | Formula: C20H42O3
  • H donors: 0 H acceptors: 0 LogP: 8.44 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCCCCCOOC(OC)(C)C
  • InChi: 1S/C20H42O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23-20(2,3)21-4/h5-19H2,1-4H3
  • InChiKey: AKZKCVWPKDECSR-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(1-methoxy-1-methyl-ethyl)peroxyhexadecane
  • 1-(1-methoxy-1-methylethyl)dioxyhexadecane

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 Eukaryotic-type carbonic anhydrase family protein 0.0388948 0.197689 0.107682
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0314493 0.118075 0.118075
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0861968 0.703479 0.763016
Schistosoma mansoni carbonic anhydrase-related 0.0388948 0.197689 0.107682
Treponema pallidum methionine aminopeptidase (map) 0.0861968 0.703479 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.106624 0.921903 0.921903
Loa Loa (eye worm) carbonic anhydrase 3 0.113928 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0314493 0.118075 0.118075
Echinococcus multilocularis carbonic anhydrase 0.0388948 0.197689 0.197689
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0861968 0.703479 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0861968 0.703479 0.703479
Echinococcus multilocularis glutamate receptor 2 0.0314493 0.118075 0.118075
Schistosoma mansoni hypothetical protein 0.0388948 0.197689 0.107682
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.106624 0.921903 0.921886
Trypanosoma brucei methionine aminopeptidase, putative 0.106624 0.921903 0.921886
Echinococcus multilocularis glutamate receptor 2 0.0298401 0.100869 0.100869
Loa Loa (eye worm) hypothetical protein 0.0388948 0.197689 0.107682
Toxoplasma gondii hypothetical protein 0.0388948 0.197689 0.214249
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0388948 0.197689 0.107682
Loa Loa (eye worm) hypothetical protein 0.0388948 0.197689 0.107682
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0861968 0.703479 0.5
Schistosoma mansoni vesicular acetylcholine transporter 0.037923 0.187298 0.096125
Trypanosoma brucei carbonic anhydrase-like protein 0.113928 1 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0861968 0.703479 0.670214
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0388948 0.197689 0.107682
Echinococcus granulosus carbonic anhydrase 0.0388948 0.197689 0.197689
Schistosoma mansoni glutamate receptor NMDA 0.0383197 0.19154 0.100843
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0388948 0.197689 0.107682
Loa Loa (eye worm) hypothetical protein 0.0388948 0.197689 0.107682
Echinococcus multilocularis carbonic anhydrase II 0.113928 1 1
Echinococcus multilocularis carbonic anhydrase 0.0388948 0.197689 0.197689
Toxoplasma gondii methionine aminopeptidase 0.106624 0.921903 1
Echinococcus granulosus vesicular acetylcholine transporter 0.037923 0.187298 0.187298
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.037923 0.187298 0.5
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0314493 0.118075 0.118075
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0314493 0.118075 0.118075
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0314493 0.118075 0.118075
Schistosoma mansoni carbonic anhydrase-related 0.0388948 0.197689 0.107682
Plasmodium vivax methionine aminopeptidase 1b, putative 0.106624 0.921903 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.113928 1 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.113928 1 1
Echinococcus multilocularis vesicular acetylcholine transporter 0.037923 0.187298 0.187298
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0314493 0.118075 0.118075
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0861968 0.703479 0.763016
Echinococcus granulosus glutamate receptor 2 0.0314493 0.118075 0.118075
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.106624 0.921903 0.921886
Brugia malayi vesicular acetylcholine transporter unc-17 0.037923 0.187298 0.096125
Chlamydia trachomatis methionine aminopeptidase 0.0861968 0.703479 0.5
Echinococcus granulosus carbonic anhydrase 0.0388948 0.197689 0.197689
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.037923 0.187298 0.096125
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.113928 1 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0861968 0.703479 0.5
Mycobacterium ulcerans methionine aminopeptidase 0.0861968 0.703479 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0388948 0.197689 0.107682
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.106624 0.921903 0.921886
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.113928 1 1
Toxoplasma gondii methionine aminopeptidase 0.0861968 0.703479 0.763016
Loa Loa (eye worm) methionine aminopeptidase type I 0.106624 0.921903 0.913142
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0861968 0.703479 0.670214
Schistosoma mansoni carbonic anhydrase-related 0.0388948 0.197689 0.107682
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.106624 0.921903 1
Plasmodium falciparum carbonic anhydrase 0.0388948 0.197689 0.214249
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0388948 0.197689 0.107682
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0314493 0.118075 0.118075
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0314493 0.118075 0.118075
Echinococcus granulosus glutamate NMDA receptor subunit 0.0473401 0.287993 0.287993
Leishmania major carbonic anhydrase-like protein 0.113928 1 1
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0861968 0.703479 0.5
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0861968 0.703479 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.106624 0.921903 0.921886
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.106624 0.921903 0.921886
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0861968 0.703479 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0473401 0.287993 0.208116
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.106624 0.921903 0.921903
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.113928 1 1
Echinococcus granulosus carbonic anhydrase 0.0388948 0.197689 0.197689
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0861968 0.703479 0.763016
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0473401 0.287993 0.287993
Schistosoma mansoni carbonic anhydrase 0.0388948 0.197689 0.107682
Brugia malayi Methionine aminopeptidase protein type I 0.106624 0.921903 0.913142
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.113928 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.113928 1 1
Echinococcus granulosus carbonic anhydrase II 0.113928 1 1
Echinococcus multilocularis carbonic anhydrase 0.0388948 0.197689 0.197689

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 440 nM In vitro antimalarial activity against FCR3 Plasmodium falciparum strain ChEMBL. 12467620
IC50 (functional) = 440 nM In vitro antimalarial activity against FCR3 Plasmodium falciparum strain ChEMBL. 12467620

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 12467620

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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