Detailed information for compound 1462345

Basic information

Technical information
  • TDR Targets ID: 1462345
  • Name: (1-methylpiperidin-4-yl) 2-(4-tert-butylpheno xy)acetate
  • MW: 305.412 | Formula: C18H27NO3
  • H donors: 0 H acceptors: 1 LogP: 4.08 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCC(CC1)OC(=O)COc1ccc(cc1)C(C)(C)C
  • InChi: 1S/C18H27NO3/c1-18(2,3)14-5-7-15(8-6-14)21-13-17(20)22-16-9-11-19(4)12-10-16/h5-8,16H,9-13H2,1-4H3
  • InChiKey: ATECQNVCCVLUKJ-UHFFFAOYSA-N  

Network

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Synonyms

  • (1-methyl-4-piperidyl) 2-(4-tert-butylphenoxy)acetate
  • 2-(4-tert-butylphenoxy)acetic acid (1-methyl-4-piperidinyl) ester
  • 2-(4-tert-butylphenoxy)acetic acid (1-methyl-4-piperidyl) ester
  • (1-methylpiperidin-4-yl) 2-(4-tert-butylphenoxy)ethanoate

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
Schistosoma mansoni serine/threonine protein kinase 0.0191 0.2782 0.2782
Trypanosoma cruzi cyclin 6, putative 0.033 1 1
Loa Loa (eye worm) hypothetical protein 0.027 0.6844 0.6844
Trichomonas vaginalis cyclins, putative 0.0226 0.4577 0.4577
Trichomonas vaginalis cyclins, putative 0.033 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0191 0.2782 0.2782
Loa Loa (eye worm) animal heme peroxidase 0.027 0.6844 0.6844
Brugia malayi Protein kinase domain containing protein 0.0191 0.2782 0.2782
Brugia malayi cell division control protein 2 homolog 0.0191 0.2782 0.2782
Echinococcus granulosus cyclin dependent kinase 0.0191 0.2782 0.2782
Echinococcus multilocularis cyclin dependent kinase 0.0191 0.2782 0.2782
Loa Loa (eye worm) hypothetical protein 0.027 0.6844 0.6844
Entamoeba histolytica cyclin, putative 0.033 1 1
Loa Loa (eye worm) hypothetical protein 0.027 0.6844 0.6844
Loa Loa (eye worm) hypothetical protein 0.027 0.6844 0.6844
Brugia malayi Animal haem peroxidase family protein 0.027 0.6844 0.6844
Echinococcus multilocularis peroxidasin 0.027 0.6844 0.6844
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0191 0.2782 0.2782
Trichomonas vaginalis cyclin B, putative 0.033 1 1
Schistosoma mansoni cyclin B 0.033 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0191 0.2782 0.2782
Loa Loa (eye worm) hypothetical protein 0.027 0.6844 0.6844
Echinococcus granulosus cyclin B 0.033 1 1
Loa Loa (eye worm) hypothetical protein 0.027 0.6844 0.6844
Loa Loa (eye worm) blistered cuticle protein 3 0.027 0.6844 0.6844
Trichomonas vaginalis CMGC family protein kinase 0.0191 0.2782 0.2782
Loa Loa (eye worm) hypothetical protein 0.027 0.6844 0.6844
Loa Loa (eye worm) hypothetical protein 0.033 1 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.033 1 1
Loa Loa (eye worm) hypothetical protein 0.027 0.6844 0.6844
Brugia malayi Animal haem peroxidase family protein 0.027 0.6844 0.6844
Brugia malayi Animal haem peroxidase family protein 0.027 0.6844 0.6844
Echinococcus granulosus cyclin dependent kinase 1 0.0191 0.2782 0.2782
Brugia malayi Blistered cuticle protein 3 0.027 0.6844 0.6844
Trichomonas vaginalis cyclin B, putative 0.033 1 1
Giardia lamblia Kinase, CMGC CDK 0.0191 0.2782 0.2782
Plasmodium vivax protein kinase Crk2 0.0191 0.2782 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0191 0.2782 0.2782
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0191 0.2782 0.2782
Loa Loa (eye worm) hypothetical protein 0.027 0.6844 0.6844
Trichomonas vaginalis cyclins, putative 0.033 1 1
Loa Loa (eye worm) hypothetical protein 0.033 1 1
Brugia malayi Animal haem peroxidase family protein 0.027 0.6844 0.6844
Echinococcus multilocularis cyclin dependent kinase 5 0.0191 0.2782 0.2782
Echinococcus granulosus cyclin dependent kinase 5 0.0191 0.2782 0.2782
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0191 0.2782 0.5
Loa Loa (eye worm) hypothetical protein 0.027 0.6844 0.6844
Brugia malayi hypothetical protein 0.027 0.6844 0.6844
Leishmania major cyclin 0.033 1 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0191 0.2782 0.2782
Schistosoma mansoni peroxidasin 0.027 0.6844 0.6844
Loa Loa (eye worm) animal heme peroxidase 0.027 0.6844 0.6844
Loa Loa (eye worm) hypothetical protein 0.027 0.6844 0.6844
Trichomonas vaginalis cyclins, putative 0.033 1 1
Loa Loa (eye worm) animal heme peroxidase 0.027 0.6844 0.6844
Giardia lamblia Kinase, CMGC CDK 0.0191 0.2782 0.2782
Loa Loa (eye worm) hypothetical protein 0.027 0.6844 0.6844
Echinococcus multilocularis cyclin B 0.033 1 1
Schistosoma mansoni peroxidasin 0.027 0.6844 0.6844
Loa Loa (eye worm) hypothetical protein 0.027 0.6844 0.6844
Trichomonas vaginalis cyclin B, putative 0.033 1 1
Brugia malayi Animal haem peroxidase family protein 0.027 0.6844 0.6844
Brugia malayi Peroxidasin 0.027 0.6844 0.6844
Entamoeba histolytica cell division protein kinase 2, putative 0.0191 0.2782 0.2782
Trichomonas vaginalis cyclin A, putative 0.033 1 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.033 1 1
Trichomonas vaginalis cyclins, putative 0.033 1 1
Trichomonas vaginalis cyclin B, putative 0.033 1 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.033 1 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0191 0.2782 0.2782
Echinococcus granulosus peroxidasin 0.027 0.6844 0.6844
Entamoeba histolytica cell division protein kinase 2, putative 0.0191 0.2782 0.2782
Loa Loa (eye worm) hypothetical protein 0.027 0.6844 0.6844
Giardia lamblia G2/mitotic-specific cyclin B 0.033 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0191 0.2782 0.2782
Onchocerca volvulus 0.033 1 1
Loa Loa (eye worm) hypothetical protein 0.0193 0.2852 0.2852
Plasmodium falciparum protein kinase 5 0.0191 0.2782 1
Trypanosoma brucei mitotic cyclin 6 0.033 1 1
Trypanosoma cruzi cyclin, putative 0.033 1 1
Trypanosoma cruzi cyclin, putative 0.033 1 1
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0191 0.2782 0.2782
Loa Loa (eye worm) hypothetical protein 0.0189 0.2676 0.2676
Loa Loa (eye worm) animal heme peroxidase 0.027 0.6844 0.6844

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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