Detailed information for compound 974446

Basic information

Technical information
  • TDR Targets ID: 974446
  • Name: (2R,3R,4R,5R)-1-(2-hydroxyethyl)-2,5-bis(hydr oxymethyl)pyrrolidine-3,4-diol
  • MW: 207.224 | Formula: C8H17NO5
  • H donors: 5 H acceptors: 5 LogP: -2.02 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCN1[C@H](CO)[C@H]([C@@H]([C@H]1CO)O)O
  • InChi: 1S/C8H17NO5/c10-2-1-9-5(3-11)7(13)8(14)6(9)4-12/h5-8,10-14H,1-4H2/t5-,6-,7-,8-/m1/s1
  • InChiKey: FKBYEFOAINARAQ-WCTZXXKLSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2R,3R,4R,5R)-1-(2-hydroxyethyl)-2,5-dimethylol-pyrrolidine-3,4-diol

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
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0391 0.4105 0.4105
Brugia malayi ecdysteroid receptor 0.0391 0.4105 0.4105
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0391 0.4105 0.7598
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0391 0.4105 0.4105
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0391 0.4105 0.4105
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0391 0.4105 0.7598
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0391 0.4105 0.4105
Echinococcus granulosus ecdysone induced protein 78C 0.0391 0.4105 0.7598
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0391 0.4105 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0391 0.4105 0.4105
Echinococcus granulosus thyroid hormone receptor alpha 0.045 0.5403 1
Loa Loa (eye worm) hypothetical protein 0.0391 0.4105 0.4105
Loa Loa (eye worm) steroid hormone receptor 0.0656 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0391 0.4105 0.1185
Echinococcus multilocularis thyroid hormone receptor alpha 0.0391 0.4105 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0391 0.4105 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0391 0.4105 1
Schistosoma mansoni RAR-like nuclear receptor 0.0391 0.4105 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0575 0.8188 1
Schistosoma mansoni thyroid hormone receptor 0.0391 0.4105 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0391 0.4105 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0391 0.4105 0.4105
Loa Loa (eye worm) hypothetical protein 0.0391 0.4105 0.4105
Brugia malayi photoreceptor-specific nuclear receptor 0.0391 0.4105 0.4105
Onchocerca volvulus 0.0391 0.4105 0.1185
Brugia malayi Nuclear hormone receptor-like 1 0.0391 0.4105 0.4105
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0391 0.4105 0.7598
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0391 0.4105 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0391 0.4105 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0391 0.4105 0.4105
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0391 0.4105 0.7598
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0391 0.4105 0.4105
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0391 0.4105 0.4105
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0367 0.3556 0.8662
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0391 0.4105 0.4105
Brugia malayi nuclear receptor NHR-88 0.0391 0.4105 0.4105
Loa Loa (eye worm) hypothetical protein 0.0391 0.4105 0.4105
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0391 0.4105 0.4105
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0391 0.4105 0.4105
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0391 0.4105 1
Schistosoma mansoni nuclear hormone receptor 0.0391 0.4105 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0391 0.4105 0.4105
Schistosoma mansoni steroid hormone receptor ad4bp 0.0391 0.4105 1
Loa Loa (eye worm) hypothetical protein 0.0391 0.4105 0.4105
Loa Loa (eye worm) hypothetical protein 0.0391 0.4105 0.4105
Brugia malayi Steroid receptor seven-up type 2 0.0391 0.4105 0.4105
Schistosoma mansoni thyroid hormone receptor 0.0391 0.4105 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0391 0.4105 0.4105
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0391 0.4105 1
Brugia malayi nuclear hormone receptor 0.0368 0.3591 0.3591
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0391 0.4105 0.7598
Brugia malayi prolyl oligopeptidase family protein 0.0367 0.3556 0.3556
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0367 0.3556 0.8662
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0391 0.4105 1
Loa Loa (eye worm) hypothetical protein 0.0391 0.4105 0.4105
Echinococcus multilocularis Lysosomal Pro X carboxypeptidase 0.0368 0.3587 0.8739
Echinococcus granulosus Lysosomal Pro X carboxypeptidase 0.0368 0.3587 0.664
Schistosoma mansoni family S28 unassigned peptidase (S28 family) 0.0368 0.3587 0.8739
Onchocerca volvulus Bile acid receptor homolog 0.0391 0.4105 0.1185
Echinococcus granulosus FTZ F1 alpha 0.0391 0.4105 0.7598
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0368 0.3591 0.3591
Schistosoma mansoni coup transcription factor 0.0391 0.4105 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0391 0.4105 0.4105
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0391 0.4105 0.7598
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0391 0.4105 1
Brugia malayi nuclear hormone receptor 0.0391 0.4105 0.4105
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0367 0.3556 0.6582
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0391 0.4105 1
Loa Loa (eye worm) hypothetical protein 0.0391 0.4105 0.4105
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0391 0.4105 0.4105
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0391 0.4105 0.7598
Echinococcus multilocularis FTZ F1 alpha 0.0391 0.4105 1
Schistosoma mansoni retinoic acid receptor RXR 0.0391 0.4105 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0391 0.4105 0.4105
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0391 0.4105 0.4105
Loa Loa (eye worm) hypothetical protein 0.0391 0.4105 0.4105
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0391 0.4105 0.4105
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0391 0.4105 0.4105
Loa Loa (eye worm) prolyl oligopeptidase 0.0367 0.3556 0.3556
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0391 0.4105 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0391 0.4105 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 260 uM Inhibition of yeast maltase alpha-glucosidase assessed as p-nitrophenol release by spectrophotometrically ChEMBL. 11858756
Inhibition (binding) < 50 % Inhibition of pig kidney trehalase assessed as p-nitrophenol release at 1000 uM by spectrophotometrically ChEMBL. 11858756

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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