Detailed information for compound 2200602

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 193.095 | Formula: C7H15NO5
  • H donors: 4 H acceptors: 3 LogP: -2.9 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 0
  • SMILES: CO[C@H]1O[C@H](CN)[C@H]([C@@H]([C@@H]1O)O)O
  • InChi: InChI=1S/C7H15NO5/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-7,9-11H,2,8H2,1H3/t3-,4-,5+,6+,7+/m1/s1
  • InChiKey: BJYPUAVFYCRNFH-VEIUFWFVSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 multilocularis voltage gated potassium channel subunit 0.0092 0.1647 0.1647
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0319 1 1
Onchocerca volvulus 0.0319 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0319 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0319 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0319 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0092 0.1647 0.1647
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0319 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0319 1 1
Echinococcus granulosus aldo keto reductase 0.0319 1 1
Schistosoma mansoni aldo-keto reductase 0.0319 1 1
Echinococcus granulosus aldo keto reductase 0.0319 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0319 1 1
Echinococcus multilocularis aldo keto reductase 0.0319 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0319 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0319 1 1
Trypanosoma brucei prostaglandin f synthase 0.0319 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0319 1 1
Onchocerca volvulus 0.0319 1 1
Leishmania major prostaglandin f synthase, putative 0.0319 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0319 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0319 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0092 0.1647 0.1647
Plasmodium falciparum aldehyde reductase, putative 0.0092 0.1647 0.5
Schistosoma mansoni aldo-keto reductase 0.0319 1 1
Plasmodium vivax aldehyde reductase, putative 0.0092 0.1647 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0319 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0092 0.1647 0.5
Echinococcus granulosus voltage gated potassium channel subunit 0.0092 0.1647 0.1647
Loa Loa (eye worm) hypothetical protein 0.0319 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0319 1 1
Onchocerca volvulus 0.0319 1 1
Onchocerca volvulus 0.0319 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0319 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0319 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0319 1 1
Onchocerca volvulus 0.0319 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0319 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0319 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.0319 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0319 1 1
Brugia malayi NADH-dependent xylose reductase 0.0092 0.1647 0.1647
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0319 1 1
Onchocerca volvulus 0.0319 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0319 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0319 1 1
Toxoplasma gondii aldose reductase, putative 0.0319 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0092 0.1647 0.1647
Giardia lamblia Aldose reductase 0.0319 1 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0319 1 1
Loa Loa (eye worm) oxidoreductase 0.0319 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0319 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0319 1 1
Echinococcus granulosus hypothetical protein 0.0319 1 1
Giardia lamblia Aldose reductase 0.0319 1 0.5
Echinococcus granulosus aldo keto reductase 0.0319 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0319 1 1
Entamoeba histolytica aldose reductase, putative 0.0319 1 1
Entamoeba histolytica aldose reductase, putative 0.0319 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0319 1 1
Entamoeba histolytica aldose reductase, putative 0.0319 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0319 1 1
Schistosoma mansoni pol-related 0.0319 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0319 1 1
Mycobacterium ulcerans oxidoreductase 0.0319 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0319 1 1
Loa Loa (eye worm) oxidoreductase 0.0319 1 1
Echinococcus granulosus aldehyde reductase 0.0227 0.6594 0.6594
Echinococcus multilocularis aldehyde reductase 0.0227 0.6594 0.6594
Echinococcus multilocularis aldo keto reductase 0.0319 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0227 0.6594 0.5922
Loa Loa (eye worm) oxidoreductase 0.0319 1 1
Echinococcus multilocularis aldo keto reductase 0.0319 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0319 1 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0092 0.1647 0.5
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0319 1 1
Schistosoma mansoni potassium channel beta 0.0092 0.1647 0.1647
Trypanosoma cruzi aldo-keto reductase 0.0319 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0319 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0319 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0319 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0319 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0319 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0319 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0319 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0319 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0319 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0319 1 1
Loa Loa (eye worm) oxidoreductase 0.0319 1 1
Echinococcus multilocularis aldo keto reductase 0.0319 1 1
Loa Loa (eye worm) oxidoreductase 0.0319 1 1
Onchocerca volvulus 0.0092 0.1647 0.1647
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0319 1 1
Leishmania major aldo-keto reductase-like protein 0.0319 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0319 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0319 1 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Displacement of N-(fluorescein-5-yl)-N'-(alpha-D-mannopyranosyloxyethyl)-thiocarbamide from Burkholderia cenocepacia J2315 BC2L-A expressed in Escherichia coli BL21 (DE3) cells up to 666 uM incubated for 3 to 4 hrs by fluorescence polarization assay relative to control ChEMBL. No reference

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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