Detailed information for compound 1394710

Basic information

Technical information
  • TDR Targets ID: 1394710
  • Name: N-(4-morpholin-4-ylsulfonylphenyl)-2-(2-nitro pyridin-3-yl)oxyacetamide
  • MW: 422.412 | Formula: C17H18N4O7S
  • H donors: 1 H acceptors: 6 LogP: 0.66 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)COc1cccnc1[N+](=O)[O-]
  • InChi: 1S/C17H18N4O7S/c22-16(12-28-15-2-1-7-18-17(15)21(23)24)19-13-3-5-14(6-4-13)29(25,26)20-8-10-27-11-9-20/h1-7H,8-12H2,(H,19,22)
  • InChiKey: SUFQBCYQXUQNQC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-morpholinosulfonylphenyl)-2-[(2-nitro-3-pyridyl)oxy]acetamide
  • N-(4-morpholin-4-ylsulfonylphenyl)-2-(2-nitropyridin-3-yl)oxy-ethanamide
  • MLS000774198
  • SMR000364971
  • T5260283

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
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 dna polymerase eta 0.0044 0.0041 0.0063
Schistosoma mansoni alpha-glucosidase 0.0169 0.5372 1
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0008 0.1866
Plasmodium vivax hypothetical protein, conserved 0.0043 0 0.5
Schistosoma mansoni DNA polymerase eta 0.0044 0.0041 0.0076
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0008 0.5
Trichomonas vaginalis sucrase-isomaltase, putative 0.0044 0.0008 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0041 0.0063
Schistosoma mansoni hypothetical protein 0.0168 0.5323 0.9908
Echinococcus multilocularis muscleblind protein 1 0.018 0.5843 0.8933
Mycobacterium tuberculosis Possible toxin MazF4 0.0132 0.3796 0.3796
Mycobacterium tuberculosis Possible toxin MazF7 0.0132 0.3796 0.3796
Echinococcus multilocularis geminin 0.0168 0.5323 0.8137
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0008 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.0041 1
Onchocerca volvulus 0.0114 0.3001 1
Loa Loa (eye worm) hypothetical protein 0.018 0.5843 0.8933
Mycobacterium ulcerans hypothetical protein 0.0132 0.3796 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0008 0.0012
Mycobacterium tuberculosis Toxin MazF6 0.0132 0.3796 0.3796
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.0041 0.0063
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0044 0.0008 0.0012
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0008 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0 0.5
Mycobacterium leprae Probable lipase LipE 0.0043 0 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.6542 1
Trypanosoma brucei glucosidase, putative 0.0044 0.0008 0.1866
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0008 1
Mycobacterium tuberculosis Possible toxin MazF1 0.0132 0.3796 0.3796
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0008 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0008 0.0012
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0008 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.6542 1
Leishmania major alpha glucosidase II subunit, putative 0.0044 0.0008 0.1866
Trypanosoma cruzi hypothetical protein, conserved 0.0044 0.0008 0.1866
Mycobacterium tuberculosis Possible toxin MazF5 0.0132 0.3796 0.3796
Mycobacterium tuberculosis Toxin MazF3 0.0132 0.3796 0.3796
Mycobacterium tuberculosis Conserved protein 0.0132 0.3796 0.3796
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.6542 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0044 0.0008 1
Leishmania major DNA polymerase eta, putative 0.0044 0.0041 1
Mycobacterium tuberculosis Toxin MazF9 0.0132 0.3796 0.3796
Schistosoma mansoni alpha glucosidase 0.0044 0.0008 0.0014
Brugia malayi Muscleblind-like protein 0.018 0.5843 0.8933
Trichomonas vaginalis maltase-glucoamylase, putative 0.0044 0.0008 1
Mycobacterium tuberculosis Toxin MazF2 0.0132 0.3796 0.3796
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.0041 1
Echinococcus multilocularis muscleblind protein 0.018 0.5843 0.8933
Schistosoma mansoni hypothetical protein 0.0168 0.5323 0.9908
Schistosoma mansoni alpha-glucosidase 0.0169 0.5372 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0008 1
Echinococcus granulosus geminin 0.0168 0.5323 0.8137
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0008 0.0012
Trichomonas vaginalis alpha-glucosidase, putative 0.0044 0.0008 1
Echinococcus granulosus dna polymerase eta 0.0044 0.0041 0.0063
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.6542 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0044 0.0008 0.5
Echinococcus granulosus muscleblind protein 0.018 0.5843 0.8933
Loa Loa (eye worm) hypothetical protein 0.018 0.5843 0.8933
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.6542 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.7783 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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