Detailed information for compound 1551811

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 251.075 | Formula: C8H11BrO4
  • H donors: 3 H acceptors: 3 LogP: -1.27 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1=C(Br)C(O)C2C(C1O)(C)O2
  • InChi: 1S/C8H11BrO4/c1-8-6(12)3(2-10)4(9)5(11)7(8)13-8/h5-7,10-12H,2H2,1H3
  • InChiKey: YVRHVBINQMVCBC-UHFFFAOYSA-N  

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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0007 0.0007
Trypanosoma cruzi 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0074 0.321 0.321
Echinococcus granulosus 6 phosphogluconate dehydrogenase 0.0184 1 1
Toxoplasma gondii 6-phosphogluconate dehydrogenase 0.0184 1 1
Plasmodium vivax 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0184 1 1
Mycobacterium tuberculosis Probable 6-phosphogluconate dehydrogenase, decarboxylating Gnd2 0.0184 1 1
Mycobacterium ulcerans 6-phosphogluconate dehydrogenase 0.0184 1 1
Trichomonas vaginalis 6-phosphogluconate dehydrogenase, putative 0.0184 1 1
Trichomonas vaginalis 3-hydroxyisobutyrate dehydrogenase, putative 0.0184 1 1
Trypanosoma brucei 6-phosphogluconate dehydrogenase, decarboxylating 0.0184 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0007 0.0007
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0007 0.0007
Toxoplasma gondii 6-phosphogluconate dehydrogenase 0.0184 1 1
Schistosoma mansoni transcription initiation factor iia (tfiia) gamma chain 0.0074 0.321 0.3206
Mycobacterium leprae PROBABLE 6-PHOSPHOGLUCONATE DEHYDROGENASE GND1 0.0184 1 0.5
Leishmania major 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0184 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0007 0.0007
Loa Loa (eye worm) pgd protein 0.0184 1 1
Mycobacterium ulcerans 6-phosphogluconate dehydrogenase 0.0184 1 1
Toxoplasma gondii exonuclease III APE 0.0023 0.0007 0.0007
Mycobacterium tuberculosis Probable 6-phosphogluconate dehydrogenase Gnd1 0.0184 1 1
Trichomonas vaginalis 6-phosphogluconate dehydrogenase, putative 0.0184 1 1
Chlamydia trachomatis 6-phosphogluconate dehydrogenase 0.0184 1 1
Trypanosoma cruzi 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0184 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0007 0.0007
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0007 0.5
Treponema pallidum 6-phosphogluconate dehydrogenase 0.0184 1 1
Schistosoma mansoni 6-phosphogluconate dehydrogenase 0.0184 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0007 0.0007
Echinococcus multilocularis 6 phosphogluconate dehydrogenase 0.0184 1 1
Plasmodium falciparum 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0184 1 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0007 0.5
Giardia lamblia 6-phosphogluconate dehydrogenase, decarboxylating 0.0184 1 1
Trypanosoma cruzi 6-phosphogluconate dehydrogenase, decarboxylating 0.011 0.5392 0.5392

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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