Detailed information for compound 624800

Basic information

Technical information
  • TDR Targets ID: 624800
  • Name: [2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2 -yl]amino]-2-oxoethyl] diethylaminomethanedit hioate
  • MW: 414.008 | Formula: C17H20ClN3OS3
  • H donors: 1 H acceptors: 2 LogP: 4.85 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=S)SCC(=O)Nc1ncc(s1)Cc1ccccc1Cl)CC
  • InChi: 1S/C17H20ClN3OS3/c1-3-21(4-2)17(23)24-11-15(22)20-16-19-10-13(25-16)9-12-7-5-6-8-14(12)18/h5-8,10H,3-4,9,11H2,1-2H3,(H,19,20,22)
  • InChiKey: LYOZSQKQLKAUEJ-UHFFFAOYSA-N  

Network

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Synonyms

  • [2-[[5-[(2-chlorophenyl)methyl]thiazol-2-yl]amino]-2-oxo-ethyl] diethylaminomethanedithioate
  • diethylaminomethanedithioic acid [2-[[5-[(2-chlorophenyl)methyl]-2-thiazolyl]amino]-2-oxoethyl] ester
  • diethylaminomethanedithioic acid [2-[[5-(2-chlorobenzyl)thiazol-2-yl]amino]-2-keto-ethyl] ester
  • [2-[[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxo-ethyl] diethylaminomethanedithioate
  • ZINC02671059

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 trans-sialidase, putative 0.0028 0.669 0.441
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.669 0.441
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.669 0.441
Trypanosoma cruzi trans-sialidase, putative 0.0028 0.6689 0.4408
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0037 1 1
Trypanosoma brucei trans-sialidase, putative 0.0028 0.669 0.441
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.4079 0.4079
Trypanosoma brucei trans-sialidase, putative 0.0028 0.669 0.441
Trypanosoma cruzi trans-sialidase, putative 0.0028 0.669 0.441
Schistosoma mansoni ap endonuclease 0.0021 0.4079 0.4079
Trypanosoma cruzi trans-sialidase, putative 0.0028 0.6689 0.4408
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0037 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.4079 0.4079
Onchocerca volvulus Bile acid receptor homolog 0.001 0 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.669 0.441
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.669 0.441
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0037 1 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0037 1 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0037 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.669 0.441
Onchocerca volvulus 0.001 0 0.5
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0037 1 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0037 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.4079 0.5
Trypanosoma cruzi trans-sialidase, putative 0.0028 0.669 0.441
Trypanosoma brucei trans-sialidase 0.0028 0.669 0.441
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.669 0.441
Schistosoma mansoni ap endonuclease 0.0021 0.4079 0.4079
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.4079 0.4079
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0037 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0 0.5
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.669 0.441
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.669 0.441
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0037 1 1
Trypanosoma cruzi trans-sialidase, putative 0.0028 0.6689 0.4408
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0037 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.4079 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.4079 0.4079
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0037 1 1
Trypanosoma brucei trans-sialidase, putative 0.0028 0.669 0.441
Trypanosoma brucei trans-sialidase, putative 0.0028 0.669 0.441
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.669 0.441
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0037 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.4079 0.5
Trypanosoma cruzi trans-sialidase, putative 0.0028 0.6689 0.4408
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0037 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.669 0.441
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0037 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.4079 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.4079 0.5
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0037 1 1
Trypanosoma cruzi trans-sialidase, Group I, putative 0.0028 0.669 0.441
Trypanosoma cruzi trans-sialidase, putative 0.0028 0.669 0.441
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0037 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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