Detailed information for compound 519267

Basic information

Technical information
  • TDR Targets ID: 519267
  • Name: N-[2-(2,4-dioxopyrimidin-1-yl)-2-methoxyethyl ]-N-[2-(hydroxymethyl)phenyl]-4-nitrobenzenes ulfonamide
  • MW: 476.46 | Formula: C20H20N4O8S
  • H donors: 2 H acceptors: 7 LogP: 0.57 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1ccccc1N(S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])CC(n1ccc(=O)[nH]c1=O)OC
  • InChi: 1S/C20H20N4O8S/c1-32-19(22-11-10-18(26)21-20(22)27)12-23(17-5-3-2-4-14(17)13-25)33(30,31)16-8-6-15(7-9-16)24(28)29/h2-11,19,25H,12-13H2,1H3,(H,21,26,27)
  • InChiKey: CYLCTVXKZWJDOM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(2,4-dioxopyrimidin-1-yl)-2-methoxy-ethyl]-N-[2-(hydroxymethyl)phenyl]-4-nitro-benzenesulfonamide
  • N-[2-(2,4-dioxo-1-pyrimidinyl)-2-methoxyethyl]-N-[2-(hydroxymethyl)phenyl]-4-nitrobenzenesulfonamide
  • N-[2-(2,4-diketopyrimidin-1-yl)-2-methoxy-ethyl]-N-(2-methylolphenyl)-4-nitro-benzenesulfonamide

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
Entamoeba histolytica phosphofructokinase, putative 0.0115 0.5796 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0115 0.5796 0.5832
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0496 0.0249
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.2291 0.2597
Loa Loa (eye worm) hypothetical protein 0.0053 0.1497 0.1308
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0496 0.0855
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.2291 0.209
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0115 0.5796 1
Schistosoma mansoni jun-related protein 0.0143 0.7725 0.9521
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0115 0.5796 0.5
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0 0.5
Echinococcus multilocularis 6 phosphofructokinase 0.0115 0.5796 0.5687
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0496 0.0249
Loa Loa (eye worm) 6-phosphofructokinase 0.0115 0.5796 0.5832
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.2291 1
Brugia malayi 6-phosphofructokinase 0.0115 0.5796 0.5687
Loa Loa (eye worm) hypothetical protein 0.0036 0.0344 0.0096
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0496 0.2165
Brugia malayi phosphofructokinase 0.0115 0.5796 0.5687
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0115 0.5796 1
Onchocerca volvulus 0.01 0.4739 0.6284
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.2291 0.2597
Brugia malayi hypothetical protein 0.0138 0.7392 0.7324
Brugia malayi Glycosyl hydrolases family 31 protein 0.0172 0.9758 0.9752
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0344 0.0093
Entamoeba histolytica phosphofructokinase, putative 0.0115 0.5796 1
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0031 0 0.5
Schistosoma mansoni 6-phosphofructokinase 0.0115 0.5796 0.7064
Brugia malayi 6-phosphofructokinase 0.0115 0.5796 0.5687
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0496 0.0855
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.5796 1
Echinococcus granulosus 6 phosphofructokinase 0.0115 0.5796 0.5687
Echinococcus granulosus jun protein 0.0176 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0172 0.9758 0.9752
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1497 0.1276
Schistosoma mansoni hypothetical protein 0.0036 0.0344 0.0116
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0496 0.0255
Loa Loa (eye worm) hypothetical protein 0.0171 0.9667 0.9905
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.2291 0.209
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0115 0.5796 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0115 0.5796 1
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0 0.5
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0 0.5
Trichomonas vaginalis sucrase-isomaltase, putative 0.0038 0.0496 0.0855
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.5796 1
Schistosoma mansoni alpha-glucosidase 0.0148 0.81 1
Onchocerca volvulus 0.0138 0.7392 1
Echinococcus multilocularis jun protein 0.0176 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0496 0.0855
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0496 0.0249
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0031 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1497 0.1308
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0496 0.0855
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0172 0.9758 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0496 0.0855
Schistosoma mansoni hypothetical protein 0.0143 0.7725 0.9521
Leishmania major ATP-dependent phosphofructokinase 0.0115 0.5796 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0496 0.0855
Loa Loa (eye worm) phosphofructokinase 0.0115 0.5796 0.5832
Mycobacterium ulcerans 6-phosphofructokinase 0.0115 0.5796 1
Entamoeba histolytica phosphofructokinase, putative 0.0115 0.5796 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0038 0.0496 0.0855
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1497 0.1276
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0176 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0038 0.0496 0.0855
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0038 0.0496 0.0855
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0031 0 0.5
Schistosoma mansoni alpha-glucosidase 0.0148 0.81 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.2291 0.3387
Schistosoma mansoni 6-phosphofructokinase 0.0115 0.5796 0.7064
Echinococcus granulosus lysosomal alpha glucosidase 0.0172 0.9758 0.9752
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0176 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.5796 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0038 0.0496 0.0855
Schistosoma mansoni alpha glucosidase 0.0038 0.0496 0.0309
Echinococcus multilocularis lysosomal alpha glucosidase 0.0172 0.9758 0.9752
Trichomonas vaginalis phosphofructokinase, putative 0.0115 0.5796 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 45.76 uM Antiproliferative activity against human MCF7 cells ChEMBL. 18194866
IC50 (functional) = 45.76 uM Antiproliferative activity against human MCF7 cells ChEMBL. 18194866

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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