Detailed information for compound 661876

Basic information

Technical information
  • TDR Targets ID: 661876
  • Name: 1-(4-methoxyphenyl)-2-[(4-prop-2-enyl-5-pyrid in-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
  • MW: 366.437 | Formula: C19H18N4O2S
  • H donors: 0 H acceptors: 4 LogP: 2.99 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)CSc1nnc(n1CC=C)c1ccncc1
  • InChi: 1S/C19H18N4O2S/c1-3-12-23-18(15-8-10-20-11-9-15)21-22-19(23)26-13-17(24)14-4-6-16(25-2)7-5-14/h3-11H,1,12-13H2,2H3
  • InChiKey: NJKGEZWWZVSXRY-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
  • 2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone
  • ZINC00778531
  • ST5032544
  • BAS 03796067

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
Leishmania major hypothetical protein, conserved 0.0068 0.5281 0.5
Schistosoma mansoni hypothetical protein 0.0031 0.1873 0.3598
Echinococcus multilocularis GPCR, family 2 0.0031 0.1873 0.3546
Loa Loa (eye worm) hepatopoietin HPO2 0.0068 0.5281 0.5281
Brugia malayi Augmenter of liver regeneration 0.0068 0.5281 0.5281
Loa Loa (eye worm) hypothetical protein 0.0031 0.1873 0.1873
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.1873 0.1873
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0068 0.5281 1
Brugia malayi Latrophilin receptor protein 2 0.0031 0.1873 0.1873
Schistosoma mansoni hypothetical protein 0.0067 0.5205 1
Schistosoma mansoni hypothetical protein 0.0031 0.1873 0.3598
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0068 0.5281 1
Echinococcus granulosus GPCR family 2 0.0031 0.1873 0.3546
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0068 0.5281 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.8076 0.8076
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.1873 0.3546
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0068 0.5281 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.1873 0.3546
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0068 0.5281 1
Onchocerca volvulus Sulfhydryl oxidase homolog 0.0011 0 0.5
Schistosoma mansoni hypothetical protein 0.0031 0.1873 0.3598
Loa Loa (eye worm) transcription factor SMAD2 0.0119 1 1
Onchocerca volvulus Sulfhydryl oxidase homolog 0.0011 0 0.5
Onchocerca volvulus Sulfhydryl oxidase homolog 0.0011 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.8076 0.8076
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.1873 0.3546
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.1873 0.3546
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.5205 0.5205
Loa Loa (eye worm) hypothetical protein 0.0067 0.5205 0.5205
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.1873 0.1873
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0068 0.5281 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 1 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.8076 0.8076
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.8076 0.8076
Toxoplasma gondii Erv1 / Alr family protein 0.0068 0.5281 1
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0068 0.5281 1
Toxoplasma gondii Erv1 / Alr family protein 0.0068 0.5281 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0068 0.5281 1
Schistosoma mansoni hypothetical protein 0.0031 0.1873 0.3598

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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