Detailed information for compound 1093916

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 159.183 | Formula: C7H13NO3
  • H donors: 4 H acceptors: 3 LogP: -1.91 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@H]1CNC2([C@@H]([C@H]1O)O)CC2
  • InChi: 1S/C7H13NO3/c9-4-3-8-7(1-2-7)6(11)5(4)10/h4-6,8-11H,1-3H2/t4-,5-,6+/m0/s1
  • InChiKey: VCFIPARMELTEKE-HCWXCVPCSA-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 granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0445 0.0435
Loa Loa (eye worm) hepatopoietin HPO2 0.0039 0.0306 0.0306
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0213 0.5
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0039 0.0306 0.0295
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0275 0.5618 0.5618
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0213 0.0202
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0445 0.0435
Trypanosoma brucei PAB1-binding protein , putative 0.0059 0.0745 1
Echinococcus granulosus geminin 0.0169 0.3223 0.3216
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0213 0.0202
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.2998 0.2998
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0026 0.0013 0.0003
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.2998 0.299
Schistosoma mansoni alpha-glucosidase 0.0137 0.2499 0.2491
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0445 0.0435
Plasmodium vivax ataxin-2 like protein, putative 0.0059 0.0745 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0026 0.0013 0.0003
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.3803 0.6097
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0296 0.6101 0.6101
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0213 0.5
Schistosoma mansoni hypothetical protein 0.0026 0.0013 0.0003
Plasmodium falciparum ataxin-2 like protein, putative 0.0059 0.0745 1
Leishmania major hypothetical protein, conserved 0.0039 0.0306 0.1752
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0206 0.406 0.6535
Loa Loa (eye worm) alpha-L-fucosidase 0.0469 1 1
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0039 0.0306 0.1752
Plasmodium falciparum ataxin-2 like protein, putative 0.0059 0.0745 1
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.3803 0.6097
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.3803 0.6097
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0445 0.0435
Schistosoma mansoni alpha-l-fucosidase 0.0469 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.3803 0.6097
Trichomonas vaginalis glucosylceramidase, putative 0.0296 0.6101 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0445 0.0435
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.2998 0.299
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0213 0.0213
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0296 0.6101 0.6097
Brugia malayi hypothetical protein 0.0038 0.0275 0.0264
Brugia malayi hypothetical protein 0.0059 0.0745 0.0735
Schistosoma mansoni hypothetical protein 0.0169 0.3223 0.3216
Echinococcus granulosus fucosidase alpha L 1 tissue 0.0469 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0059 0.0745 1
Schistosoma mansoni alpha glucosidase 0.0035 0.0213 0.0202
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.3803 0.6097
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0445 0.0445
Toxoplasma gondii Erv1 / Alr family protein 0.0039 0.0306 0.1752
Toxoplasma gondii Erv1 / Alr family protein 0.0039 0.0306 0.1752
Brugia malayi follicle stimulating hormone receptor 0.0275 0.5618 0.5613
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0445 0.0435
Toxoplasma gondii LsmAD domain-containing protein 0.0059 0.0745 1
Brugia malayi Augmenter of liver regeneration 0.0039 0.0306 0.0295
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0011 0.0011
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0011 0.0011
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0039 0.0306 0.1752
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0039 0.0306 0.0295
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4039 0.6498
Onchocerca volvulus Glucosylceramidase homolog 0.0194 0.3803 1
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.3803 0.6097
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0206 0.406 0.6535
Leishmania major hypothetical protein, conserved 0.0059 0.0745 1
Echinococcus multilocularis geminin 0.0169 0.3223 0.3216
Trichomonas vaginalis glucosylceramidase, putative 0.0296 0.6101 1
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.4039 0.6498
Trichomonas vaginalis glucosylceramidase, putative 0.0296 0.6101 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0213 0.0202
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0445 0.0435
Echinococcus multilocularis fucosidase, alpha L 1, tissue 0.0469 1 1
Onchocerca volvulus 0.0092 0.1489 0.3897
Loa Loa (eye worm) hypothetical protein 0.0059 0.0745 0.0745
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.2998 0.299
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0039 0.0306 0.1752
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0445 0.0435
Mycobacterium ulcerans alpha-L-fucosidase 0.0469 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0059 0.0745 1
Schistosoma mansoni hypothetical protein 0.0169 0.3223 0.3216
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0194 0.3794 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0011 0.0011
Trichomonas vaginalis glucosylceramidase, putative 0.0296 0.6101 1
Trichomonas vaginalis glucosylceramidase, putative 0.0296 0.6101 1
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.3803 0.6097
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0039 0.0306 0.1752
Schistosoma mansoni alpha-glucosidase 0.0137 0.2499 0.2491
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.2998 0.299
Trichomonas vaginalis glucosylceramidase, putative 0.0296 0.6101 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of Aspergillus oryzae beta-galactosidase at 1 mM ChEMBL. 19875298
Inhibition (binding) Inhibition of Escherichia coli beta-galactosidase at 1 mM ChEMBL. 19875298
Inhibition (binding) Inhibition of bovine kidney alpha-L-fucosidase at 1 mM by para-nitrophenolate release assay ChEMBL. 19875298

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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