Detailed information for compound 613424

Basic information

Technical information
  • TDR Targets ID: 613424
  • Name: N-[(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3- yl)methyl]-4-methoxybenzamide
  • MW: 334.436 | Formula: C16H22N4O2S
  • H donors: 1 H acceptors: 3 LogP: 2.24 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCSc1nnc(n1CC)CNC(=O)c1ccc(cc1)OC
  • InChi: 1S/C16H22N4O2S/c1-4-10-23-16-19-18-14(20(16)5-2)11-17-15(21)12-6-8-13(22-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3,(H,17,21)
  • InChiKey: RQWFMCMVKUOCPZ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-ethyl-5-propylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-benzamide
  • N-[[4-ethyl-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
  • N-[[4-ethyl-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide
  • ZINC04087416

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 chaperonin-60kD, ch60, putative 0.0024 1 0.5
Echinococcus multilocularis FTZ F1 alpha 0.001 0.2527 0.2527
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.2527 0.2527
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.2527 0.2527
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.5544 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.2527 0.2527
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.2527 0.2527
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.5544 0.5544
Loa Loa (eye worm) steroid hormone receptor 0.001 0.2527 0.2527
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.5544 0.5544
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.2527 0.2527
Brugia malayi ecdysteroid receptor 0.001 0.2527 0.2527
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.2527 0.2527
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.2527 0.2527
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.2527 0.2527
Loa Loa (eye worm) hypothetical protein 0.001 0.2527 0.2527
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.2527 0.2527
Toxoplasma gondii t-complex protein beta subunit 0.0024 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.2527 0.2527
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.2527 0.2527
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.2527 0.2527
Schistosoma mansoni thyroid hormone receptor 0.001 0.2527 0.2527
Plasmodium falciparum T-complex protein 1 subunit beta 0.0024 1 1
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0024 1 1
Leishmania major T-complex protein 1, beta subunit, putative 0.0024 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.2527 0.2527
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.2527 0.2527
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.2527 0.2527
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.2527 0.2527
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0024 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.2527 0.2527
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0024 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.5544 0.5544
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.5544 0.5544
Onchocerca volvulus 0.001 0.2527 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.2527 0.2527
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.2527 0.2527
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.2527 0.2527
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.5544 0.5544
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.2527 0.2527
Brugia malayi T-complex protein 1, beta subunit 0.0024 1 1
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0024 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.2527 0.2527
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.2527 0.2527
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.2527 0.2527
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.2527 0.2527
Loa Loa (eye worm) hypothetical protein 0.001 0.2527 0.2527
Trichomonas vaginalis chaperonin, putative 0.0024 1 0.5
Brugia malayi steroid hormone receptor 0.001 0.2527 0.2527
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0024 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.2527 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.2527 0.2527
Schistosoma mansoni nuclear hormone receptor 0.001 0.2527 0.2527
Schistosoma mansoni thyroid hormone receptor 0.001 0.2527 0.2527
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.2527 0.2527
Loa Loa (eye worm) hypothetical protein 0.001 0.2527 0.2527
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.5544 0.5544
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0024 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.2527 0.2527
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.2527 0.2527
Brugia malayi nuclear hormone receptor 0.001 0.2527 0.2527
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.2527 0.2527
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.2527 0.2527
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.2527 0.2527
Brugia malayi Steroid receptor seven-up type 2 0.001 0.2527 0.2527
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.2527 0.2527
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.2527 0.2527
Loa Loa (eye worm) hypothetical protein 0.001 0.2527 0.2527
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.2527 0.2527
Brugia malayi isocitrate dehydrogenase 0.0015 0.5544 0.5544
Echinococcus granulosus FTZ F1 alpha 0.001 0.2527 0.2527
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0024 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.2527 0.2527
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.2527 0.2527
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.2527 0.2527
Brugia malayi nuclear receptor NHR-88 0.001 0.2527 0.2527
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.2527 0.2527
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.2527 0.2527
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.2527 0.2527
Loa Loa (eye worm) hypothetical protein 0.001 0.2527 0.2527
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.5544 0.5544
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.5544 0.5544
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.2527 0.2527
Onchocerca volvulus Bile acid receptor homolog 0.001 0.2527 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.2527 0.2527
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.2527 0.2527
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0024 1 0.5
Loa Loa (eye worm) T-complex protein 1 0.0024 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.2527 0.2527
Giardia lamblia TCP-1 chaperonin subunit beta 0.0024 1 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.2527 0.2527
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0024 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.2527 0.2527
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.2527 0.2527
Schistosoma mansoni coup transcription factor 0.001 0.2527 0.2527
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.2527 0.5
Brugia malayi Isocitrate dehydrogenase 0.0015 0.5544 0.5544
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.2527 0.2527
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.2527 0.2527

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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