Detailed information for compound 158496

Basic information

Technical information
  • TDR Targets ID: 158496
  • Name: 2-ethylsulfanyl-3-pentylpyrazine
  • MW: 210.339 | Formula: C11H18N2S
  • H donors: 0 H acceptors: 2 LogP: 3.27 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCc1nccnc1SCC
  • InChi: 1S/C11H18N2S/c1-3-5-6-7-10-11(14-4-2)13-9-8-12-10/h8-9H,3-7H2,1-2H3
  • InChiKey: MBFGUEWRWPOKQU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-ethylsulfanyl-3-pentyl-pyrazine
  • 2-(ethylthio)-3-pentylpyrazine
  • 2-amyl-3-(ethylthio)pyrazine
  • Pyrazine, 2-(ethylthio)-3-pentyl
  • Pyrazine, 3-ethylthio-2-pentyl

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
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0326 0.4283 1
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0046 0.0177 0.5
Echinococcus granulosus Aminotransferase class III 0.0046 0.0177 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0233 0.0233
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0172 0.0172
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0326 0.4283 0.5
Echinococcus multilocularis Aminotransferase class III 0.0046 0.0177 1
Plasmodium falciparum ornithine aminotransferase 0.0046 0.0177 0.5
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0326 0.4283 1
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0046 0.0177 0.0177
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0233 0.0233
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0172 0.9707
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0326 0.4283 1
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0046 0.0177 0.5
Echinococcus multilocularis ornithine aminotransferase 0.0046 0.0177 1
Plasmodium vivax ornithine aminotransferase, putative 0.0046 0.0177 0.5
Mycobacterium ulcerans hypothetical protein 0.0326 0.4283 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0172 0.9707
Loa Loa (eye worm) pax transcription factor protein 2 0.0715 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.005 0.0233 0.0233
Onchocerca volvulus 0.0715 1 0.5
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0046 0.0177 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0233 0.0233
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0172 0.9707
Mycobacterium tuberculosis Probable aminotransferase 0.0326 0.4283 1
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0046 0.0177 1
Echinococcus multilocularis ornithine aminotransferase 0.0046 0.0177 1
Echinococcus granulosus ornithine aminotransferase 0.0046 0.0177 1

Activities

Activity type Activity value Assay description Source Reference
Log 1/C (functional) = 5.322 Evaluated for its olfactory detection threshold value and indicates quantitative measure of odour impression ChEMBL. 11495591

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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