Detailed information for compound 158735

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 205.105 | Formula: C6H8NO5P
  • H donors: 3 H acceptors: 5 LogP: -1.27 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cccn1CP(=O)(O)O
  • InChi: 1S/C6H8NO5P/c8-6(9)5-2-1-3-7(5)4-13(10,11)12/h1-3H,4H2,(H,8,9)(H2,10,11,12)
  • InChiKey: YJAVUCKKBMTCEH-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
Trypanosoma brucei glucosidase, putative 0.0809 0.1974 1
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0126 0.0162 0.0396
Trichomonas vaginalis alpha-glucosidase, putative 0.0809 0.1974 0.4812
Loa Loa (eye worm) hypothetical protein 0.0126 0.0162 0.0113
Trichomonas vaginalis trehalase, putative 0.0128 0.0167 0.0408
Trichomonas vaginalis glucosylceramidase, putative 0.1612 0.4102 1
Schistosoma mansoni ceramide glucosyltransferase 0.121 0.3035 0.3308
Trichomonas vaginalis glucosylceramidase, putative 0.1612 0.4102 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0437 0.0987 0.4893
Echinococcus multilocularis glycogen debranching enzyme 0.0126 0.0162 0.0122
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0809 0.1974 0.1933
Brugia malayi Trehalase family protein 0.0128 0.0167 0.0005
Brugia malayi hypothetical protein 0.0128 0.0167 0.0005
Echinococcus granulosus lysosomal alpha glucosidase 0.3838 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0809 0.1974 0.4812
Trichomonas vaginalis glucosylceramidase, putative 0.1058 0.2633 0.6418
Trichomonas vaginalis alpha-glucosidase, putative 0.0437 0.0987 0.2406
Trichomonas vaginalis beta-glucosidase, putative 0.0131 0.0176 0.0428
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0437 0.0987 0.2406
Echinococcus granulosus beta galactosidase 0.0139 0.0196 0.0156
Loa Loa (eye worm) hypothetical protein 0.0716 0.1726 0.1684
Echinococcus multilocularis non lysosomal glucosylceramidase 0.106 0.2639 0.2609
Echinococcus granulosus ceramide glucosyltransferase 0.121 0.3035 0.3006
Schistosoma mansoni ceramide glucosyltransferase 0.121 0.3035 0.3308
Loa Loa (eye worm) TRE-2 protein 0.0128 0.0167 0.0118
Trichomonas vaginalis glucosylceramidase, putative 0.1115 0.2783 0.6786
Trichomonas vaginalis alpha-glucosidase, putative 0.0809 0.1974 0.4812
Schistosoma mansoni hypothetical protein 0.0091 0.007 0.0032
Trichomonas vaginalis glucosylceramidase, putative 0.1058 0.2633 0.6418
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.1612 0.4102 0.4005
Loa Loa (eye worm) hypothetical protein 0.0128 0.0167 0.0118
Loa Loa (eye worm) hypothetical protein 0.0128 0.0167 0.0118
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.121 0.3035 0.4195
Trichomonas vaginalis glucosylceramidase, putative 0.1612 0.4102 1
Onchocerca volvulus Uncharacterized family 31 glucosidase KIAA1161 homolog 0.0437 0.0987 0.1199
Brugia malayi Trehalase family protein 0.0128 0.0167 0.0005
Onchocerca volvulus Glucosylceramidase homolog 0.1058 0.2633 0.3607
Echinococcus multilocularis bile acid beta glucosidase 0.106 0.2639 0.2609
Trichomonas vaginalis glycoside hydrolases, putative 0.0131 0.0176 0.0428
Trichomonas vaginalis glucosylceramidase, putative 0.1612 0.4102 1
Trichomonas vaginalis glucosylceramidase, putative 0.1058 0.2633 0.6418
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0437 0.0987 0.2406
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.078 0.1895 0.9564
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0809 0.1974 0.4812
Echinococcus multilocularis lysosomal alpha glucosidase 0.3838 1 1
Schistosoma mansoni hypothetical protein 0.0162 0.0258 0.0239
Schistosoma mansoni beta-galactosidase 0.0139 0.0196 0.0171
Trypanosoma cruzi hypothetical protein, conserved 0.0809 0.1974 1
Schistosoma mansoni alpha-glucosidase 0.3495 0.9092 1
Trypanosoma cruzi glycosyl hydrolase-like protein, putative 0.0437 0.0987 0.4893
Loa Loa (eye worm) ceramide glucosyltransferase 0.121 0.3035 0.3
Trichomonas vaginalis alpha-glucosidase, putative 0.0437 0.0987 0.2406
Trichomonas vaginalis alpha-glucosidase, putative 0.0809 0.1974 0.4812
Echinococcus granulosus non lysosomal glucosylceramidase 0.106 0.2639 0.2609
Schistosoma mansoni bile acid beta-glucosidase-related 0.106 0.2639 0.2871
Echinococcus granulosus glycogen debranching enzyme 0.0126 0.0162 0.0122
Trichomonas vaginalis glucosylceramidase, putative 0.1058 0.2633 0.6418
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0809 0.1974 1
Leishmania major alpha glucosidase II subunit, putative 0.0809 0.1974 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.0167 0.0118
Echinococcus multilocularis beta galactosidase 0.0139 0.0196 0.0156
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.1612 0.4102 0.4072
Echinococcus multilocularis ceramide glucosyltransferase 0.121 0.3035 0.3006
Brugia malayi Glycosyl hydrolases family 31 protein 0.0809 0.1974 0.1841
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.008 0.0041 0.0178
Trichomonas vaginalis conserved hypothetical protein 0.0128 0.0167 0.0408
Brugia malayi Trehalase family protein 0.0128 0.0167 0.0005
Schistosoma mansoni bile acid beta-glucosidase-related 0.106 0.2639 0.2871
Trichomonas vaginalis alpha-glucosidase, putative 0.0437 0.0987 0.2406
Trichomonas vaginalis glucosylceramidase, putative 0.1058 0.2633 0.6418
Loa Loa (eye worm) hypothetical protein 0.0139 0.0196 0.0147
Trichomonas vaginalis glucosylceramidase, putative 0.1058 0.2633 0.6418
Echinococcus multilocularis neutral alpha glucosidase AB 0.0809 0.1974 0.1941
Giardia lamblia Ceramide glucosyltransferase 0.0548 0.1282 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0437 0.0987 0.2406
Trichomonas vaginalis alpha-glucosidase, putative 0.0437 0.0987 0.2406
Trichomonas vaginalis glucosylceramidase, putative 0.1612 0.4102 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0437 0.0987 0.2406
Loa Loa (eye worm) hypothetical protein 0.0128 0.0167 0.0118
Trypanosoma cruzi hypothetical protein, conserved 0.0809 0.1974 1
Loa Loa (eye worm) hypothetical protein 0.0437 0.0987 0.0941
Trichomonas vaginalis glucosylceramidase, putative 0.1612 0.4102 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0809 0.1974 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0809 0.1974 0.1941
Brugia malayi Trehalase family protein 0.0128 0.0167 0.0005
Trichomonas vaginalis sucrase-isomaltase, putative 0.078 0.1895 0.4619
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0437 0.0987 0.4551
Brugia malayi Glycosyl hydrolases family 31 protein 0.0437 0.0987 0.0838
Schistosoma mansoni alpha-glucosidase 0.3495 0.9092 1
Schistosoma mansoni alpha glucosidase 0.0809 0.1974 0.2135
Echinococcus granulosus bile acid beta glucosidase 0.106 0.2639 0.2609
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.3838 1 1
Loa Loa (eye worm) trehalase 0.0128 0.0167 0.0118
Trichomonas vaginalis maltase-glucoamylase, putative 0.0809 0.1974 0.4812
Loa Loa (eye worm) trehalase 0.0128 0.0167 0.0118
Loa Loa (eye worm) hypothetical protein 0.0139 0.0196 0.0147
Trichomonas vaginalis glycogen debranching enzyme, putative 0.0126 0.0162 0.0396
Loa Loa (eye worm) trehalase 0.0128 0.0167 0.0118
Brugia malayi Ceramide glucosyltransferase 0.121 0.3035 0.292
Echinococcus multilocularis lysosomal alpha glucosidase 0.3838 1 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0809 0.1974 0.4812
Trichomonas vaginalis glucosylceramidase, putative 0.1115 0.2783 0.6786
Onchocerca volvulus 0.2707 0.7003 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0809 0.1974 0.4812
Trichomonas vaginalis glucosylceramidase, putative 0.1058 0.2633 0.6418
Loa Loa (eye worm) hypothetical protein 0.0128 0.0167 0.0118
Loa Loa (eye worm) TRE-1 protein 0.0128 0.0167 0.0118
Trypanosoma brucei glycosyl hydrolase-like protein 0.0437 0.0987 0.4984

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 50 mM Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in E. coli. ChEMBL. No reference
IC50 (binding) = 50 mM Compound was tested for inhibitory activity against EPSP(5-enolpyruvylshikimate 3-phosphate) synthase in E. coli. 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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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