Detailed information for compound 674660

Basic information

Technical information
  • TDR Targets ID: 674660
  • Name: 1-(4-methoxyphenyl)-2-[[5-(phenoxymethyl)-4-p rop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethano ne
  • MW: 395.475 | Formula: C21H21N3O3S
  • H donors: 0 H acceptors: 3 LogP: 3.9 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)CSc1nnc(n1CC=C)COc1ccccc1
  • InChi: 1S/C21H21N3O3S/c1-3-13-24-20(14-27-18-7-5-4-6-8-18)22-23-21(24)28-15-19(25)16-9-11-17(26-2)12-10-16/h3-12H,1,13-15H2,2H3
  • InChiKey: NMSPECUMIPMVLI-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
  • 2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-1-(4-methoxyphenyl)ethanone
  • ST059040
  • ZINC00998118

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
Loa Loa (eye worm) hypothetical protein 0.0028 0.0542 0.0542
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0564 0.0564
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0232 0.5
Schistosoma mansoni survival motor neuron protein 0.0051 0.1522 0.1911
Echinococcus multilocularis geminin 0.0179 0.6981 0.691
Echinococcus granulosus lamin dm0 0.0028 0.0564 0.034
Onchocerca volvulus 0.0051 0.1522 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0077 0.2658 0.2484
Echinococcus granulosus intermediate filament protein 0.0028 0.0564 0.034
Echinococcus multilocularis lamin 0.0028 0.0564 0.034
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0232 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0077 0.2658 0.2484
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0232 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0232 0.5
Entamoeba histolytica hypothetical protein 0.0077 0.2658 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.2084 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.1522 0.1522
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0232 0.5
Schistosoma mansoni lamin 0.0028 0.0564 0.0492
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.2084 0.1896
Loa Loa (eye worm) hypothetical protein 0.0249 1 1
Echinococcus granulosus geminin 0.0179 0.6981 0.691
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0232 0.0232
Echinococcus multilocularis lamin dm0 0.0028 0.0564 0.034
Entamoeba histolytica hypothetical protein 0.0077 0.2658 1
Schistosoma mansoni hypothetical protein 0.0179 0.6981 1
Schistosoma mansoni hypothetical protein 0.0077 0.2658 0.3594
Echinococcus granulosus lamin 0.0028 0.0564 0.034
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.2084 0.2745
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0232 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0232 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.2084 1
Echinococcus multilocularis musashi 0.0028 0.0564 0.034
Brugia malayi intermediate filament protein 0.0028 0.0564 0.0564
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.2084 0.2745
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.2084 0.1896
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.2084 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0564 0.0564
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0232 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0564 0.0564
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0232 0.5
Entamoeba histolytica hypothetical protein 0.0077 0.2658 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0232 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0077 0.2658 0.3594
Schistosoma mansoni intermediate filament proteins 0.0028 0.0564 0.0492
Schistosoma mansoni hypothetical protein 0.0179 0.6981 1
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0232 0.0232
Schistosoma mansoni lamin 0.0028 0.0564 0.0492
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0564 0.0564
Echinococcus granulosus survival motor neuron protein 1 0.0249 1 1
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.2084 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.2084 1
Schistosoma mansoni hypothetical protein 0.0051 0.1522 0.1911
Entamoeba histolytica hypothetical protein 0.0077 0.2658 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.2084 1
Brugia malayi hypothetical protein 0.0077 0.2658 0.2658
Echinococcus multilocularis survival motor neuron protein 1 0.0249 1 1

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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