Detailed information for compound 1811008

Basic information

Technical information
  • TDR Targets ID: 1811008
  • Name: 2-(2-chlorophenyl)-2-(1,2,4-triazol-1-ylmethy l)-3-trimethylsilylpropanenitrile
  • MW: 318.877 | Formula: C15H19ClN4Si
  • H donors: 0 H acceptors: 3 LogP: 3.97 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(c1ccccc1Cl)(C[Si](C)(C)C)Cn1cncn1
  • InChi: 1S/C15H19ClN4Si/c1-21(2,3)10-15(8-17,9-20-12-18-11-19-20)13-6-4-5-7-14(13)16/h4-7,11-12H,9-10H2,1-3H3
  • InChiKey: UYTQJONOXSLDNL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilyl-propanenitrile
  • 2-(2-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-3-trimethylsilyl-propionitrile

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
Toxoplasma gondii cell division protein CDC48AP 0.0606 0.4742 0.0000097958
Schistosoma mansoni tyrosine kinase 0.0475 0.3051 0.2945
Giardia lamblia AAA family ATPase 0.0606 0.4742 0.5
Toxoplasma gondii cell division protein CDC48CY 0.1012 1 1
Echinococcus multilocularis 0.0319 0.1028 0.0891
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0418 0.232 0.2203
Loa Loa (eye worm) vesicle-fusing ATPase 0.0593 0.4584 0.6325
Echinococcus granulosus epidermal growth factor receptor 0.0475 0.3051 0.2945
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0418 0.232 0.2203
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.1012 1 0.5
Brugia malayi transitional endoplasmic reticulum ATPase TER94, putative 0.0418 0.232 0.3095
Mycobacterium ulcerans ATPase 0.0606 0.4742 0.5
Trypanosoma cruzi Valosin-containing protein, putative 0.096 0.9326 0.5
Brugia malayi valosin containing protein 0.0593 0.4584 0.6325
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.1012 1 1
Loa Loa (eye worm) VCP protein 0.0418 0.232 0.3095
Schistosoma mansoni tyrosine kinase 0.0475 0.3051 0.2945
Brugia malayi Furin-like cysteine rich region family protein 0.0792 0.7161 1
Trypanosoma brucei Valosin-containing protein 0.096 0.9326 0.5
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.096 0.9326 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0792 0.7161 1
Trichomonas vaginalis spermatogenesis associated factor, putative 0.1012 1 1
Entamoeba histolytica cdc48-like protein, putative 0.096 0.9326 0.5
Schistosoma mansoni cell division control protein 48 aaa family protein 0.096 0.9326 0.9316
Schistosoma mansoni cell division control protein 48 aaa family protein 0.1012 1 1
Schistosoma mansoni tyrosine kinase 0.0471 0.3001 0.2894
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.096 0.9326 0.5
Schistosoma mansoni tyrosine kinase 0.0471 0.3001 0.2894
Schistosoma mansoni tyrosine kinase 0.0792 0.7161 0.7118
Brugia malayi vesicle-fusing ATPase 0.0593 0.4584 0.6325
Loa Loa (eye worm) hypothetical protein 0.0593 0.4584 0.6325
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.096 0.9326 0.5
Schistosoma mansoni tyrosine kinase 0.0471 0.3001 0.2894
Echinococcus multilocularis epidermal growth factor receptor 0.0792 0.7161 0.7118
Echinococcus granulosus epidermal growth factor receptor 0.0792 0.7161 0.7118
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.096 0.9326 0.5
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0475 0.3051 0.2945
Echinococcus multilocularis epidermal growth factor receptor 0.0475 0.3051 0.2945
Mycobacterium tuberculosis Putative conserved ATPase 0.0606 0.4742 0.5

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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