Detailed information for compound 560114

Basic information

Technical information
  • TDR Targets ID: 560114
  • Name: 2-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-pi peridylidene)butanedioic acid
  • MW: 270.302 | Formula: C13H20NO5
  • H donors: 3 H acceptors: 5 LogP: -1.86 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CC(=C1CC(C)(C)N(C(C1)(C)C)[O])C(=O)O
  • InChi: 1S/C13H20NO5/c1-12(2)6-8(7-13(3,4)14(12)19)9(11(17)18)5-10(15)16/h5-7H2,1-4H3,(H,15,16)(H,17,18)
  • InChiKey: JRYDKNPRIFSZJJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidinylidene)butanedioic acid
  • 2-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-piperidin-4-ylidene)butanedioic acid
  • 2-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethyl-4-piperidylidene)succinic acid
  • 2-(1-$l^{1}-oxidanyl-2,2,6,6-tetramethylpiperidin-4-ylidene)butanedioic acid
  • TOPS
  • 3474-22-4
  • 1-Piperidinyloxy, 4-(1,2-dicarboxyethylidene)-2,2,6,6-tetramethyl-
  • 2,2,6,6-Tetramethyl-1-oxylpiperidinyl succinic acid

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 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0038 0.0156 0.0296
Trypanosoma brucei pteridine reductase 1 0.0038 0.0156 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0139 0.0139
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0555 0.3379 1
Echinococcus granulosus microtubule associated protein 2 0.0708 0.4333 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0288 0.0664
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0038 0.0156 0.4267
Echinococcus granulosus lamin dm0 0.0026 0.0084 0.0194
Loa Loa (eye worm) hypothetical protein 0.0026 0.0084 0.0446
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0038 0.0156 0.023
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0038 0.0156 0.0296
Echinococcus granulosus snurportin 1 0.0316 0.1889 0.436
Schistosoma mansoni hypothetical protein 0.0316 0.1889 0.4285
Brugia malayi TAR-binding protein 0.0061 0.0304 0.6753
Loa Loa (eye worm) hypothetical protein 0.003 0.0106 0.056
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0288 0.0695
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0084 0.0446
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0057 0.1109
Echinococcus multilocularis tar DNA binding protein 0.0061 0.0304 0.0304
Schistosoma mansoni dihydropteridine reductase 0.0038 0.0156 0.023
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0038 0.0156 0.0824
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0038 0.0156 0.4267
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0139 0.032
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0038 0.0156 1
Brugia malayi hypothetical protein 0.0035 0.0139 0.2973
Loa Loa (eye worm) RNA binding protein 0.0061 0.0304 0.1608
Entamoeba histolytica hypothetical protein 0.0035 0.0139 0.8268
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0304 0.0577
Schistosoma mansoni hypothetical protein 0.0164 0.0944 0.2074
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0288 0.054
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0555 0.3379 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0555 0.3379 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0288 0.0288
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.0304 0.1608
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0071 0.0042
Plasmodium vivax importin-beta 2, putative 0.003 0.0106 0.0147
Entamoeba histolytica hypothetical protein 0.0035 0.0139 0.8268
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0304 0.0577
Echinococcus granulosus geminin 0.0164 0.0944 0.2179
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0316 0.1889 1
Schistosoma mansoni lamin 0.0026 0.0084 0.0063
Onchocerca volvulus 0.0038 0.0156 1
Echinococcus granulosus intermediate filament protein 0.0026 0.0084 0.0194
Echinococcus granulosus importin subunit beta 1 0.003 0.0106 0.0244
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0038 0.0156 0.3363
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0071 0.0042
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0555 0.3379 1
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0038 0.0156 0.0296
Brugia malayi Importin beta-1 subunit 0.003 0.0106 0.2223
Loa Loa (eye worm) hypothetical protein 0.0038 0.0156 0.0824
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0106 0.4941
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0038 0.0156 1
Onchocerca volvulus 0.0038 0.0156 1
Echinococcus multilocularis snurportin 1 0.0316 0.1889 0.1889
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0038 0.0156 0.0296
Schistosoma mansoni microtubule-associated protein tau 0.0708 0.4333 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0081 0.043
Brugia malayi RNA, U transporter 1 0.0084 0.0446 1
Trichomonas vaginalis hypothetical protein 0.0555 0.3379 1
Schistosoma mansoni hypothetical protein 0.0035 0.0139 0.019
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0304 0.0577
Plasmodium falciparum enoyl-acyl carrier reductase 0.0555 0.3379 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0304 0.0577
Echinococcus granulosus tar DNA binding protein 0.0061 0.0304 0.0701
Leishmania major oxidoreductase-like protein 0.0038 0.0156 0.4267
Schistosoma mansoni hypothetical protein 0.0164 0.0944 0.2074
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0038 0.0156 0.0359
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0038 0.0156 0.4267
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0288 0.041
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0057 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0708 0.4333 0.4333
Plasmodium falciparum importin beta, putative 0.003 0.0106 0.0147
Schistosoma mansoni lamin 0.0026 0.0084 0.0063
Echinococcus multilocularis lamin dm0 0.0026 0.0084 0.0084
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0288 0.054
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0071 0.1402
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0288 0.041
Loa Loa (eye worm) oxidoreductase 0.0038 0.0156 0.0824
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0084 0.1729
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0057 0.0132
Entamoeba histolytica hypothetical protein 0.0035 0.0139 0.8268
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0038 0.0156 1
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0106 0.4941
Leishmania major importin beta-1 subunit, putative 0.0024 0.0071 0.0598
Entamoeba histolytica hypothetical protein 0.0035 0.0139 0.8268
Echinococcus multilocularis geminin 0.0164 0.0944 0.0944
Echinococcus multilocularis musashi 0.0026 0.0084 0.0084
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0009 0.0046
Entamoeba histolytica hypothetical protein 0.0024 0.0071 0.1402
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.0304 0.6753
Brugia malayi intermediate filament protein 0.0026 0.0084 0.1729
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0288 0.041
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0038 0.0156 0.3363
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0038 0.0156 1
Trypanosoma brucei oxidoreductase-like protein 0.0038 0.0156 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0057 0.0057
Loa Loa (eye worm) retinol dehydrogenase 12 0.0038 0.0156 0.0824
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0084 0.0446
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0071 0.0042
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0555 0.3379 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.0304 0.0577
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0555 0.3379 1
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0555 0.3379 1
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0038 0.0156 0.0156
Loa Loa (eye worm) TAR-binding protein 0.0061 0.0304 0.1608
Schistosoma mansoni importin beta-1 0.003 0.0106 0.0114
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0057 0.0302
Echinococcus multilocularis lamin 0.0026 0.0084 0.0084
Echinococcus granulosus lamin 0.0026 0.0084 0.0194
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0288 0.041
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0038 0.0156 1
Brugia malayi RNA binding protein 0.0061 0.0304 0.6753
Schistosoma mansoni intermediate filament proteins 0.0026 0.0084 0.0063
Echinococcus multilocularis importin subunit beta 1 0.003 0.0106 0.0106
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0139 0.019
Leishmania major pteridine reductase 1 0.0038 0.0156 0.4267
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0038 0.0156 0.0296
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0288 1
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0106 0.0147

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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