Detailed information for compound 1468296

Basic information

Technical information
  • TDR Targets ID: 1468296
  • Name: (1-methylpiperidin-4-yl) 2-(2-methylphenoxy)a cetate
  • MW: 263.332 | Formula: C15H21NO3
  • H donors: 0 H acceptors: 1 LogP: 2.77 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCC(CC1)OC(=O)COc1ccccc1C
  • InChi: 1S/C15H21NO3/c1-12-5-3-4-6-14(12)18-11-15(17)19-13-7-9-16(2)10-8-13/h3-6,13H,7-11H2,1-2H3
  • InChiKey: GWGWQWNGSNAQQZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (1-methyl-4-piperidyl) 2-(2-methylphenoxy)acetate
  • 2-(2-methylphenoxy)acetic acid (1-methyl-4-piperidinyl) ester
  • 2-(2-methylphenoxy)acetic acid (1-methyl-4-piperidyl) ester
  • (1-methylpiperidin-4-yl) 2-(2-methylphenoxy)ethanoate
  • ST061951
  • BAS 06711051

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 0.002 0.0077 0.0077
Schistosoma mansoni serine/threonine protein kinase 0.0303 0.5053 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0021 0.0089 0.0089
Entamoeba histolytica protein kinase, putative 0.0303 0.5053 1
Schistosoma mansoni protein kinase 0.0018 0.0044 0.0086
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 7 0.0571 0.9772 0.9772
Echinococcus granulosus defective proboscis extension response 0.002 0.0077 0.0077
Brugia malayi Immunoglobulin I-set domain containing protein 0.002 0.0077 0.0077
Echinococcus multilocularis activin receptor type 0.0018 0.0044 0.0044
Loa Loa (eye worm) AUR protein kinase 0.0303 0.5053 0.5053
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.0018 0.0044 0.0086
Entamoeba histolytica protein kinase , putative 0.0303 0.5053 1
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0018 0.0044 0.0086
Trypanosoma brucei aurora B kinase 0.0303 0.5053 1
Echinococcus multilocularis neuroglian 0.0025 0.0166 0.0166
Echinococcus multilocularis kinase protein 0.0571 0.9772 0.9772
Loa Loa (eye worm) AUR protein kinase 0.0303 0.5053 0.5053
Loa Loa (eye worm) AUR protein kinase 0.0303 0.5053 0.5053
Echinococcus granulosus roundabout 2 0.0031 0.028 0.028
Loa Loa (eye worm) hypothetical protein 0.0026 0.0191 0.0191
Echinococcus multilocularis Immunoglobulin 0.002 0.0077 0.0077
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0303 0.5053 1
Trypanosoma cruzi aurora B kinase, putative 0.0303 0.5053 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0571 0.9772 0.9772
Loa Loa (eye worm) hypothetical protein 0.002 0.0077 0.0077
Entamoeba histolytica protein kinase domain containing protein 0.0303 0.5053 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0584 1 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0336 0.5634 0.5634
Echinococcus granulosus 5'partial|3'partial|mitogen activated protein kinase kinase kinase 0.0571 0.9772 0.9772
Loa Loa (eye worm) TK protein kinase 0.0021 0.0089 0.0089
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0303 0.5053 0.5053
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0303 0.5053 1
Entamoeba histolytica protein kinase domain containing protein 0.0018 0.0044 0.0086
Echinococcus granulosus activin receptor type 0.0018 0.0044 0.0044
Echinococcus multilocularis dual specificity testis specific protein kinase 0.0018 0.0044 0.0044
Echinococcus granulosus tyrosine protein kinase Lyn 0.0018 0.0044 0.0044
Echinococcus multilocularis roundabout 2 0.0031 0.028 0.028
Brugia malayi serine/threonine protein kinase 6 0.0303 0.5053 0.5053
Echinococcus granulosus aurora kinase A 0.0303 0.5053 0.5053
Brugia malayi Immunoglobulin I-set domain containing protein 0.0336 0.5634 0.5634
Brugia malayi hypothetical protein 0.002 0.0077 0.0077
Schistosoma mansoni protein kinase 0.0303 0.5053 1
Schistosoma mansoni vesicular amine transporter 0.002 0.0077 0.0153
Schistosoma mansoni cell adhesion molecule 0.0026 0.0191 0.0378
Brugia malayi serine/threonine-protein kinase 6 0.0303 0.5053 0.5053
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0303 0.5053 1
Loa Loa (eye worm) TKL/MLK/TAK1 protein kinase 0.0584 1 1
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0021 0.0089 0.0089
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0026 0.0191 0.0191
Echinococcus multilocularis kinase protein 0.0571 0.9772 0.9772
Schistosoma mansoni nephrin 0.0025 0.0166 0.0329
Brugia malayi serine/threonine kinase 12 0.0303 0.5053 0.5053
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0018 0.0044 0.0086
Loa Loa (eye worm) hypothetical protein 0.002 0.0077 0.0077
Plasmodium falciparum serine/threonine protein kinase, putative 0.0303 0.5053 1
Echinococcus granulosus Immunoglobulin 0.002 0.0077 0.0077
Echinococcus granulosus twitchin 0.0027 0.021 0.021
Echinococcus multilocularis Immunoglobulin 0.002 0.0077 0.0077
Onchocerca volvulus Tyrosine kinase homolog 0.0315 0.5261 1
Echinococcus multilocularis basement membrane specific heparan sulfate 0.002 0.0077 0.0077
Brugia malayi Fibronectin type III domain containing protein 0.002 0.0077 0.0077
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0018 0.0044 0.0086
Echinococcus granulosus neuroglian 0.0025 0.0166 0.0166
Entamoeba histolytica protein kinase, putative 0.0303 0.5053 1
Loa Loa (eye worm) TK/ROR protein kinase 0.0021 0.0089 0.0089
Schistosoma mansoni protein kinase 0.0018 0.0044 0.0086
Trichomonas vaginalis AGC family protein kinase 0.0303 0.5053 1
Trypanosoma brucei protein kinase, putative 0.0018 0.0044 0.0086
Trichomonas vaginalis AGC family protein kinase 0.0303 0.5053 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0077 0.0077
Toxoplasma gondii aurora kinase 0.0303 0.5053 1
Leishmania major protein kinase, putative 0.0018 0.0044 0.0086
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0571 0.9772 0.9772
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.002 0.0077 0.0153
Leishmania major protein kinase, putative 0.0303 0.5053 1
Schistosoma mansoni protein kinase 0.0018 0.0044 0.0086
Schistosoma mansoni Neurotrimin precursor (hNT) 0.002 0.0077 0.0153
Plasmodium falciparum protein kinase, putative 0.0018 0.0044 0.0086
Trichomonas vaginalis AGC family protein kinase 0.0303 0.5053 1
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0021 0.0089 0.0089
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.0584 1 1
Giardia lamblia Aurora kinase 0.0303 0.5053 1
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0303 0.5053 1
Trichomonas vaginalis AGC family protein kinase 0.0303 0.5053 1
Echinococcus granulosus 3'partial|mitogen activated protein kinase kinase kinase 0.0571 0.9772 0.9772
Loa Loa (eye worm) hypothetical protein 0.0031 0.028 0.028
Loa Loa (eye worm) hypothetical protein 0.002 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0031 0.028 0.028
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0303 0.5053 0.5053
Schistosoma mansoni tyrosine kinase 0.0027 0.0203 0.0401
Echinococcus granulosus dual specificity testis-specific protein kinase 0.0018 0.0044 0.0044
Echinococcus multilocularis aurora kinase A 0.0303 0.5053 0.5053
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.0571 0.9772 0.9772
Loa Loa (eye worm) hypothetical protein 0.002 0.0077 0.0077
Onchocerca volvulus 0.0294 0.4901 0.9315

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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