Detailed information for compound 255945

Basic information

Technical information
  • TDR Targets ID: 255945
  • Name: 3-cyclopentylpropyl 1-(2-methoxy-2-oxoacetyl) piperidine-2-carboxylate
  • MW: 325.4 | Formula: C17H27NO5
  • H donors: 0 H acceptors: 3 LogP: 3.72 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C(=O)N1CCCCC1C(=O)OCCCC1CCCC1
  • InChi: 1S/C17H27NO5/c1-22-17(21)15(19)18-11-5-4-10-14(18)16(20)23-12-6-9-13-7-2-3-8-13/h13-14H,2-12H2,1H3
  • InChiKey: VQMRADFEBRISCI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-cyclopentylpropyl 1-(2-methoxy-2-oxo-acetyl)piperidine-2-carboxylate
  • 1-(2-methoxy-1,2-dioxoethyl)-2-piperidinecarboxylic acid 3-cyclopentylpropyl ester
  • 3-cyclopentylpropyl 1-(2-methoxy-2-oxo-ethanoyl)piperidine-2-carboxylate
  • 1-methoxalylpipecolin 3-cyclopentylpropyl ester
  • 1-(2-keto-2-methoxy-acetyl)pipecolinic acid 3-cyclopentylpropyl ester

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 FTZ-F1 nuclear receptor-like protein 0.004 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.1342 0.1342
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 1 1
Brugia malayi nuclear receptor NHR-88 0.004 1 1
Loa Loa (eye worm) hypothetical protein 0.004 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.1071 0.1071
Onchocerca volvulus 0.004 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.004 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.004 1 1
Schistosoma mansoni ap endonuclease 0.0022 0.1342 0.1342
Loa Loa (eye worm) hypothetical protein 0.004 1 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0021 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0021 0.1071 0.1071
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.004 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.004 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.004 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.1342 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.1342 0.5
Brugia malayi hypothetical protein 0.0021 0.1071 0.1071
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.1342 0.1342
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.1342 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 1 1
Schistosoma mansoni thyroid hormone receptor 0.004 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.004 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.004 1 1
Onchocerca volvulus Bile acid receptor homolog 0.004 1 1
Brugia malayi nuclear hormone receptor 0.004 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.004 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.1342 0.1342
Loa Loa (eye worm) hypothetical protein 0.0021 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.0021 0.1071 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.004 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 1 1
Loa Loa (eye worm) hypothetical protein 0.004 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.1342 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.004 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.1342 0.5
Brugia malayi nuclear receptor RXR 0.0021 0.1071 0.1071
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 1 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.1342 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.1071 0.1071
Loa Loa (eye worm) hypothetical protein 0.004 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.004 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.1342 0.1342
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.1342 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 1 1
Schistosoma mansoni coup transcription factor 0.004 1 1
Schistosoma mansoni thyroid hormone receptor 0.004 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1071 0.1071
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0021 0.1071 0.1071
Schistosoma mansoni steroid hormone receptor ad4bp 0.004 1 1
Brugia malayi hypothetical protein 0.0021 0.1071 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.1342 0.5
Schistosoma mansoni ap endonuclease 0.0022 0.1342 0.1342
Toxoplasma gondii exonuclease III APE 0.0022 0.1342 0.5
Loa Loa (eye worm) hypothetical protein 0.004 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.004 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.004 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.004 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.004 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.1342 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.004 1 1
Loa Loa (eye worm) hypothetical protein 0.004 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0021 0.1071 0.1071
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.004 1 1
Echinococcus multilocularis FTZ F1 alpha 0.004 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.004 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.004 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.004 1 1
Loa Loa (eye worm) hypothetical protein 0.004 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.004 1 1
Schistosoma mansoni nuclear hormone receptor 0.004 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.1342 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.004 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.004 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.004 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.1071 0.1071
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.1071 0.1071
Brugia malayi Steroid receptor seven-up type 2 0.004 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.004 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.004 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.1342 0.5
Loa Loa (eye worm) steroid hormone receptor 0.004 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0021 0.1071 0.1071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.004 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.004 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.004 1 1
Brugia malayi steroid hormone receptor 0.004 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.004 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.1342 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.1342 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.004 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.1342 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.004 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.004 1 1
Echinococcus granulosus FTZ F1 alpha 0.004 1 1
Loa Loa (eye worm) hypothetical protein 0.004 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.004 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.004 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.004 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.004 1 1

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 10000 nM In Vitro neurotrophic effect was measured in cultured chick DRG sensory neurons. ChEMBL. 9857082
Ki (binding) = 35000 nM Compound was tested for its ability to inhibit FK506 binding protein 12 rotamase activity ChEMBL. 9857082
Ki (binding) = 35000 nM Compound was tested for its ability to inhibit FK506 binding protein 12 rotamase activity ChEMBL. 9857082

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

1 literature reference was collected for this gene.

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