Detailed information for compound 282384

Basic information

Technical information
  • TDR Targets ID: 282384
  • Name: 1-(2-methoxypropan-2-ylperoxy)octadecane
  • MW: 358.599 | Formula: C22H46O3
  • H donors: 0 H acceptors: 0 LogP: 9.53 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCCCCCCCCCCOOC(OC)(C)C
  • InChi: 1S/C22H46O3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-25-22(2,3)23-4/h5-21H2,1-4H3
  • InChiKey: GIHGIWKVYUQVPA-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(1-methoxy-1-methyl-ethyl)peroxyoctadecane
  • 1-(1-methoxy-1-methylethyl)dioxyoctadecane

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

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1330 nM In vitro antimalarial activity against FCR3 Plasmodium falciparum strain ChEMBL. 12467620
IC50 (functional) = 1330 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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