Detailed information for compound 716058

Basic information

Technical information
  • TDR Targets ID: 716058
  • Name: methyl 1-[1-(2,5-dimethylphenyl)-2,5-dioxopyr rolidin-3-yl]piperidine-4-carboxylate
  • MW: 344.405 | Formula: C19H24N2O4
  • H donors: 0 H acceptors: 3 LogP: 1.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1CCN(CC1)C1CC(=O)N(C1=O)c1cc(C)ccc1C
  • InChi: 1S/C19H24N2O4/c1-12-4-5-13(2)15(10-12)21-17(22)11-16(18(21)23)20-8-6-14(7-9-20)19(24)25-3/h4-5,10,14,16H,6-9,11H2,1-3H3
  • InChiKey: ZAFCKSJYZAFJIZ-UHFFFAOYSA-N  

Network

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Synonyms

  • methyl 1-[1-(2,5-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidine-4-carboxylate
  • 1-[1-(2,5-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxylic acid methyl ester
  • 1-[1-(2,5-dimethylphenyl)-2,5-diketo-pyrrolidin-3-yl]isonipecotic acid methyl 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
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0051 0.0179
Loa Loa (eye worm) hypothetical protein 0.0245 0.1418 1
Echinococcus granulosus neuropeptide receptor A26 0.0482 0.2863 1
Schistosoma mansoni loxhd1 0.0021 0.0051 0.0538
Schistosoma mansoni hypothetical protein 0.0168 0.0952 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0021 0.0146
Plasmodium falciparum LCCL domain-containing protein 0.0021 0.0051 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0649 0.4578
Brugia malayi hypothetical protein 0.0245 0.1418 1
Brugia malayi follicle stimulating hormone receptor 0.0244 0.1415 0.9982
Echinococcus multilocularis voltage gated potassium channel 0.0016 0.0021 0.0021
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0016 0.0021 0.0146
Schistosoma mansoni survival motor neuron protein 0.005 0.023 0.2415
Entamoeba histolytica hypothetical protein 0.0037 0.0153 0.5
Schistosoma mansoni hypothetical protein 0.005 0.023 0.2415
Echinococcus granulosus neuropeptide s receptor 0.0482 0.2863 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0021 0.0051 0.5
Schistosoma mansoni hypothetical protein 0.0168 0.0952 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0042 0.0181 0.1276
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0042 0.0181 0.1276
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0153 0.0533
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0123 0.0677 0.0677
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0051 0.0179
Brugia malayi hypothetical protein 0.0037 0.0153 0.1077
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0042 0.0181 0.0632
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0136 1
Entamoeba histolytica hypothetical protein 0.0037 0.0153 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0202 0.2117
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0042 0.0181 0.0181
Schistosoma mansoni voltage-gated potassium channel 0.0016 0.0021 0.0218
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0244 0.1415 0.9982
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0051 0.0361
Onchocerca volvulus 0.005 0.023 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0051 0.0051
Schistosoma mansoni rab6-interacting 0.0021 0.0051 0.0538
Schistosoma mansoni voltage-gated potassium channel 0.0016 0.0021 0.0218
Echinococcus multilocularis neuropeptide receptor A26 0.0482 0.2863 0.2863
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0016 0.0021 0.0021
Mycobacterium leprae Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.1319 0.797 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0245 0.1418 0.4953
Schistosoma mansoni lipoxygenase 0.0123 0.0677 0.7104
Schistosoma mansoni rab6-interacting 0.0021 0.0051 0.0538
Brugia malayi hypothetical protein 0.0021 0.0051 0.0361
Echinococcus granulosus voltage gated potassium channel 0.0016 0.0021 0.0072
Echinococcus granulosus RUN 0.0021 0.0051 0.0179
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0016 0.0021 0.0072
Toxoplasma gondii pantoate-beta-alanine ligase 0.1319 0.797 0.5
Brugia malayi hypothetical protein 0.0021 0.0051 0.0361
Entamoeba histolytica hypothetical protein 0.0037 0.0153 0.5
Schistosoma mansoni polycystin 1-related 0.0021 0.0051 0.0538
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0051 0.0051
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.1319 0.797 0.5
Echinococcus granulosus geminin 0.0168 0.0952 0.3327
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.1319 0.797 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0051 0.0361
Schistosoma mansoni lipoxygenase 0.0086 0.0451 0.4731
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0051 0.0179
Echinococcus multilocularis survival motor neuron protein 1 0.0245 0.1418 0.1418
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0051 0.0051
Schistosoma mansoni hypothetical protein 0.0021 0.0051 0.0538
Brugia malayi Doublecortin family protein 0.0021 0.0051 0.0361
Brugia malayi MH2 domain containing protein 0.0119 0.0649 0.4578
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0153 0.0153
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0202 0.2117
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.023 0.1622
Echinococcus multilocularis geminin 0.0168 0.0952 0.0952
Loa Loa (eye worm) hypothetical protein 0.0021 0.0051 0.0361
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0153 0.1603
Schistosoma mansoni hypothetical protein 0.0037 0.0153 0.1603
Echinococcus multilocularis RUN 0.0021 0.0051 0.0051
Echinococcus multilocularis neuropeptide s receptor 0.0482 0.2863 0.2863
Entamoeba histolytica hypothetical protein 0.0037 0.0153 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0136 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0123 0.0677 0.2363
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0649 0.4578
Loa Loa (eye worm) hypothetical protein 0.0037 0.0151 0.1066

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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