Detailed information for compound 1261989

Basic information

Technical information
  • TDR Targets ID: 1261989
  • Name: N-(2-diethylamino-5-morpholin-4-ylsulfonylphe nyl)methanesulfonamide
  • MW: 391.506 | Formula: C15H25N3O5S2
  • H donors: 1 H acceptors: 4 LogP: 0.52 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccc(cc1NS(=O)(=O)C)S(=O)(=O)N1CCOCC1)CC
  • InChi: 1S/C15H25N3O5S2/c1-4-17(5-2)15-7-6-13(12-14(15)16-24(3,19)20)25(21,22)18-8-10-23-11-9-18/h6-7,12,16H,4-5,8-11H2,1-3H3
  • InChiKey: GSYAOLCRYKLVLT-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(2-diethylamino-5-morpholinosulfonyl-phenyl)methanesulfonamide
  • N-(2-diethylamino-5-morpholinosulfonylphenyl)methanesulfonamide
  • N-(2-diethylamino-5-morpholin-4-ylsulfonyl-phenyl)methanesulfonamide
  • SMR000370887
  • T5683184
  • MLS000760787

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E 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
Echinococcus multilocularis 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
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative 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
Candida albicans hypothetical protein 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
Brugia malayi Glycosyl hydrolases family 31 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
Candida albicans hypothetical protein 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) glycosyl hydrolase family 31 protein 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
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose 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
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055

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 lysosomal alpha glucosidase 0.0197 0.1587 0.1587
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0304 0.2935 0.4758
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.1587 0.2573
Brugia malayi Hemopexin family protein 0.031 0.3022 0.49
Mycobacterium leprae PROBABLE HYDROLASE 0.0304 0.2935 0.5
Loa Loa (eye worm) hypothetical protein 0.0249 0.225 0.3647
Mycobacterium ulcerans hydrolase 0.0304 0.2935 0.5
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.1587 0.1587
Onchocerca volvulus Matrix metalloproteinase homolog 0.0553 0.6081 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0863 1 1
Loa Loa (eye worm) hypothetical protein 0.0249 0.225 0.3647
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.1587 0.2573
Onchocerca volvulus 0.031 0.3022 0.448
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0249 0.225 0.7443
Loa Loa (eye worm) matrixin family protein 0.0553 0.6081 0.9858
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0252 0.2282 0.7551
Loa Loa (eye worm) matrix metalloproteinase 0.0249 0.225 0.3647
Brugia malayi Matrixin family protein 0.0249 0.225 0.3647
Brugia malayi Matrixin family protein 0.0249 0.225 0.3647
Schistosoma mansoni alpha-glucosidase 0.0169 0.1241 0.4106
Loa Loa (eye worm) hypothetical protein 0.0249 0.225 0.3647
Schistosoma mansoni hypothetical protein 0.031 0.3022 1
Onchocerca volvulus Matrilysin homolog 0.0249 0.225 0.3085
Brugia malayi Matrixin family protein 0.0249 0.225 0.3647
Loa Loa (eye worm) hypothetical protein 0.0304 0.2935 0.4758
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0304 0.2935 0.5
Brugia malayi Matrixin family protein 0.056 0.6168 1
Brugia malayi Matrixin family protein 0.0249 0.225 0.3647
Loa Loa (eye worm) matrixin family protein 0.056 0.6168 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.1587 0.1587
Onchocerca volvulus 0.0249 0.225 0.3085
Schistosoma mansoni alpha-glucosidase 0.0169 0.1241 0.4106
Onchocerca volvulus Matrilysin homolog 0.0553 0.6081 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4125 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.4932 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] 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

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

No literature references available for this target.

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