Detailed information for compound 927652

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 208.01 | Formula: C5H6BrNO3
  • H donors: 1 H acceptors: 2 LogP: 0.49 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CC1CC(=NO1)Br
  • InChi: 1S/C5H6BrNO3/c6-4-1-3(10-7-4)2-5(8)9/h3H,1-2H2,(H,8,9)
  • InChiKey: RCQBVCWULVEUOO-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
Trichomonas vaginalis alpha-amylase, putative 0.0021 0 0.5
Trichomonas vaginalis alpha-amylase, putative 0.0021 0 0.5
Trichomonas vaginalis alpha-amylase, putative 0.0021 0 0.5
Trichomonas vaginalis amylase, putative 0.0021 0 0.5
Loa Loa (eye worm) alpha amylase 0.0087 1 1
Trichomonas vaginalis amylase, putative 0.0021 0 0.5
Trichomonas vaginalis alpha-amylase, putative 0.0021 0 0.5
Trichomonas vaginalis alpha-amylase, putative 0.0021 0 0.5
Trichomonas vaginalis alpha-amylase, putative 0.0021 0 0.5
Mycobacterium tuberculosis Probable alpha-glucosidase AglA (maltase) (glucoinvertase) (glucosidosucrase) (maltase-glucoamylase) (lysosomal alpha-glucosidas 0.0087 1 1
Toxoplasma gondii 1,4-alpha-glucan-branching enzyme 0.0021 0 0.5
Chlamydia trachomatis glycogen hydrolase 0.0021 0 0.5
Echinococcus multilocularis alpha glucosidase 0.0087 1 1
Giardia lamblia 1,4-alpha-glucan branching enzyme 0.0021 0 0.5
Chlamydia trachomatis 1,4-alpha-glucan branching enzyme 0.0021 0 0.5
Trichomonas vaginalis alpha-amylase, putative 0.0021 0 0.5
Toxoplasma gondii alpha amylase, catalytic domain-containing protein 0.0021 0 0.5
Schistosoma mansoni alpha-amylase 0.0087 1 1
Trichomonas vaginalis alpha-amylase, putative 0.0021 0 0.5
Trichomonas vaginalis alpha-amylase, putative 0.0021 0 0.5
Echinococcus granulosus alpha glucosidase 0.0087 1 1
Mycobacterium ulcerans trehalose synthase TreS 0.0087 1 1
Toxoplasma gondii glycosyltransferase 0.0021 0 0.5
Schistosoma mansoni alpha-amylase 0.0087 1 1
Trichomonas vaginalis starch branching enzyme II, putative 0.0021 0 0.5
Trichomonas vaginalis amylase, putative 0.0021 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0021 0 0.5
Trichomonas vaginalis alpha-amylase, putative 0.0021 0 0.5
Trichomonas vaginalis alpha-amylase, putative 0.0021 0 0.5
Mycobacterium tuberculosis Trehalose synthase TreS 0.0087 1 1
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0087 1 1
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0087 1 0.5
Loa Loa (eye worm) alpha amylase 0.0087 1 1
Trichomonas vaginalis amylase, putative 0.0021 0 0.5
Entamoeba histolytica oligo-1,6-glucosidase, putative 0.0087 1 1
Trichomonas vaginalis alpha-amylase, putative 0.0021 0 0.5
Schistosoma mansoni alpha-amylase 0.0087 1 1
Trichomonas vaginalis alpha-amylase, putative 0.0021 0 0.5
Schistosoma mansoni alpha-amylase 0.0087 1 1
Toxoplasma gondii Alpha-amylase AMY3, putative 0.0021 0 0.5
Schistosoma mansoni alpha-amylase 0.0087 1 1

Activities

Activity type Activity value Assay description Source Reference
Ratio (binding) = 0.7 /M/s Inhibition of recombinant Plasmodium falciparum GAPDH expressed in Escherichia coli assessed as ratio of kinact to Ki by Kitz-Wilson double-reciprocal plot ChEMBL. 25137375

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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