Detailed information for compound 186662

Basic information

Technical information
  • TDR Targets ID: 186662
  • Name: N-[2-(6-bromonaphthalen-2-yl)oxy-4,5-dihydrox y-6-(hydroxymethyl)oxan-3-yl]acetamide
  • MW: 426.259 | Formula: C18H20BrNO6
  • H donors: 4 H acceptors: 4 LogP: 1.7 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1OC(Oc2ccc3c(c2)ccc(c3)Br)C(C(C1O)O)NC(=O)C
  • InChi: 1S/C18H20BrNO6/c1-9(22)20-15-17(24)16(23)14(8-21)26-18(15)25-13-5-3-10-6-12(19)4-2-11(10)7-13/h2-7,14-18,21,23-24H,8H2,1H3,(H,20,22)
  • InChiKey: XCLZKJDWMYDYOK-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[2-[(6-bromo-2-naphthyl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • N-[2-[(6-bromo-2-naphthyl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
  • N-[2-(6-bromonaphthalen-2-yl)oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • N-[2-(6-bromo-2-naphthoxy)-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • N-[2-[(6-bromo-2-naphthyl)oxy]-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Beta-1,4-galactosyltransferase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni beta-14-galactosyltransferase Get druggable targets OG5_130585 All targets in OG5_130585
Echinococcus granulosus Metazoa galactosyltransferase Get druggable targets OG5_130585 All targets in OG5_130585
Loa Loa (eye worm) galactosyltransferase Get druggable targets OG5_130585 All targets in OG5_130585
Echinococcus multilocularis Ribosomal protein L34a Get druggable targets OG5_130585 All targets in OG5_130585
Schistosoma japonicum ko:K02915 large subunit ribosomal protein L34e, putative Get druggable targets OG5_130585 All targets in OG5_130585
Schistosoma japonicum ko:K01805 xylose isomerase [EC5.3.1.5], putative Get druggable targets OG5_130585 All targets in OG5_130585
Echinococcus multilocularis Metazoa galactosyltransferase Get druggable targets OG5_130585 All targets in OG5_130585
Schistosoma japonicum expressed protein Get druggable targets OG5_130585 All targets in OG5_130585
Schistosoma japonicum Beta-1,4-galactosyltransferase 2, putative Get druggable targets OG5_130585 All targets in OG5_130585
Brugia malayi Galactosyltransferase family protein Get druggable targets OG5_130585 All targets in OG5_130585
Schistosoma mansoni beta-14-galactosyltransferase Get druggable targets OG5_130585 All targets in OG5_130585
Echinococcus multilocularis Metazoa galactosyltransferase Get druggable targets OG5_130585 All targets in OG5_130585
Echinococcus granulosus Ribosomal protein L34a Get druggable targets OG5_130585 All targets in OG5_130585

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 serine:threonine protein phosphatase PGAM5 0.0131 0.0054 0.0054
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3303 0.42 0.4169
Echinococcus multilocularis phosphoglycerate mutase 0.0131 0.0054 0.0054
Mycobacterium tuberculosis Conserved hypothetical protein 0.0131 0.0054 0.5
Schistosoma mansoni phosphoglycerate mutase 0.0131 0.0054 0.0032
Echinococcus multilocularis phosphoglycerate mutase 0.0131 0.0054 0.0054
Mycobacterium leprae POSSIBLE HYDROLASE MUTT1 0.0131 0.0054 0.5
Treponema pallidum phosphoglyceromutase 0.0131 0.0054 0.5
Schistosoma mansoni 6-phosphofructokinase 0.7741 1 1
Mycobacterium leprae probable isochorismate synthase EntC 0.0131 0.0054 0.5
Giardia lamblia Hypothetical protein 0.4569 0.5854 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.7741 1 1
Echinococcus granulosus phosphoglycerate mutase 0.0131 0.0054 0.0032
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.761 0.9829 0.9828
Toxoplasma gondii phosphoglycerate mutase family protein 0.0131 0.0054 0.5
Toxoplasma gondii phosphoglycerate mutase PGMII 0.0131 0.0054 0.5
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0131 0.0054 0.0032
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein 0.3303 0.42 0.4169
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE) 0.0131 0.0054 0.5
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.761 0.9829 0.9828
Trichomonas vaginalis conserved hypothetical protein 0.0131 0.0054 0.5
Toxoplasma gondii phosphoglycerate mutase 0.0131 0.0054 0.5
Mycobacterium tuberculosis Probable conserved lipoprotein LpqD 0.0131 0.0054 0.5
Onchocerca volvulus 0.7741 1 1
Mycobacterium tuberculosis Conserved protein 0.0131 0.0054 0.5
Mycobacterium leprae PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM) 0.0131 0.0054 0.5
Plasmodium falciparum phosphoglucomutase-2 0.0131 0.0054 0.5
Toxoplasma gondii phosphoglycerate mutase family protein 0.0131 0.0054 0.5
Mycobacterium leprae conserved hypothetical protein 0.0131 0.0054 0.5
Brugia malayi phosphoglycerate mutase family protein 0.0131 0.0054 1
Mycobacterium tuberculosis Possible hydrolase MutT1 0.0131 0.0054 0.5
Echinococcus multilocularis phosphoglycerate mutase 0.0131 0.0054 0.0054
Schistosoma mansoni phosphoglycerate mutase 0.0131 0.0054 0.0032
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0131 0.0054 0.5
Brugia malayi phosphoglycerate mutase family protein 0.0131 0.0054 1
Chlamydia trachomatis 2,3-bisphosphoglycerate-dependent phosphoglycerate mutase 0.0131 0.0054 0.5
Mycobacterium tuberculosis Glucosyl-3-phosphoglycerate phosphatase GpgP 0.0131 0.0054 0.5
Mycobacterium ulcerans hypothetical protein 0.4569 0.5854 1
Plasmodium vivax phosphoglycerate mutase, putative 0.0131 0.0054 0.5
Echinococcus multilocularis serine:threonine protein phosphatase PGAM5 0.0131 0.0054 0.0054
Mycobacterium tuberculosis PE-PGRS family protein PE_PGRS11 0.0131 0.0054 0.5
Giardia lamblia Hypothetical protein 0.4569 0.5854 0.5
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.7741 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.7741 1 1
Mycobacterium tuberculosis Conserved protein 0.0131 0.0054 0.5
Schistosoma mansoni hypothetical protein 0.0131 0.0054 0.0032
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0131 0.0054 0.5
Loa Loa (eye worm) hypothetical protein 0.7741 1 1
Echinococcus granulosus phosphoglycerate mutase 0.0131 0.0054 0.0032
Schistosoma mansoni hypothetical protein 0.0131 0.0054 0.0032
Loa Loa (eye worm) hypothetical protein 0.0131 0.0054 0.0032
Mycobacterium tuberculosis Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM) 0.0131 0.0054 0.5
Mycobacterium leprae conserved hypothetical protein 0.0131 0.0054 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.7741 1 1
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0131 0.0054 0.5
Loa Loa (eye worm) hypothetical protein 0.4438 0.5683 0.5674
Loa Loa (eye worm) hypothetical protein 0.0131 0.0054 0.0032
Echinococcus multilocularis phosphoglycerate mutase 0.0131 0.0054 0.0054
Plasmodium falciparum phosphoglycerate mutase, putative 0.0131 0.0054 0.5
Mycobacterium leprae Possible phosphoglycerate mutase 0.0131 0.0054 0.5
Schistosoma mansoni hypothetical protein 0.0131 0.0054 0.0032
Echinococcus multilocularis phosphoglycerate mutase 0.0131 0.0054 0.0054
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.7741 1 1
Loa Loa (eye worm) hypothetical protein 0.0131 0.0054 0.0032
Echinococcus granulosus phosphoglycerate mutase 0.0131 0.0054 0.0032
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.4569 0.5854 1
Mycobacterium tuberculosis Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0131 0.0054 0.5
Echinococcus multilocularis phosphoglycerate mutase 0.0131 0.0054 0.0054
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0131 0.0054 0.5
Schistosoma mansoni hypothetical protein 0.0131 0.0054 0.0032
Schistosoma mansoni hypothetical protein 0.0131 0.0054 0.0032
Toxoplasma gondii phosphoglycerate mutase family protein 0.0131 0.0054 0.5
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.4569 0.5854 1
Trichomonas vaginalis conserved hypothetical protein 0.0131 0.0054 0.5
Echinococcus granulosus phosphoglycerate mutase 0.0131 0.0054 0.0032
Plasmodium vivax phosphoglucomutase-2, putative 0.0131 0.0054 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3303 0.42 0.4169
Mycobacterium leprae Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase) 0.0131 0.0054 0.5
Echinococcus multilocularis Metazoa galactosyltransferase 0.0106 0.0021 0.0021
Brugia malayi UBASH3A protein homolog 0.0131 0.0054 1
Loa Loa (eye worm) phosphoglycerate mutase 0.0131 0.0054 0.0032
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.761 0.9829 0.9828
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.761 0.9829 0.9828
Schistosoma mansoni hypothetical protein 0.0131 0.0054 0.0032
Trichomonas vaginalis phosphoglycerate mutase, putative 0.0131 0.0054 0.5
Loa Loa (eye worm) hypothetical protein 0.0131 0.0054 0.0032
Loa Loa (eye worm) hypothetical protein 0.761 0.9829 0.9829
Echinococcus granulosus phosphoglycerate mutase 0.0131 0.0054 0.0032
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.3303 0.42 0.4169
Echinococcus granulosus serine:threonine protein phosphatase PGAM5 0.0131 0.0054 0.0032
Toxoplasma gondii phosphoglycerate mutase family protein 0.0131 0.0054 0.5
Mycobacterium leprae conserved hypothetical protein 0.0131 0.0054 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) uM Compound was tested for the inhibition porcine alpha -1,3 -galactosyl transferase (alpha-1,3-GalT); No inhibition ChEMBL. 9873734
Ki (binding) 0 uM Compound was tested for the inhibition porcine alpha -1,3 -galactosyl transferase (alpha-1,3-GalT); No inhibition ChEMBL. 9873734
Ki (binding) = 7.6 uM Compound was tested for the inhibition recombinant bovine beta -1,4 -galactosyl transferase (beta-1,4-GalT) ChEMBL. 9873734
Ki (binding) = 7.6 uM Compound was tested for the inhibition recombinant bovine beta -1,4 -galactosyl transferase (beta-1,4-GalT) ChEMBL. 9873734

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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