Detailed information for compound 1423536

Basic information

Technical information
  • TDR Targets ID: 1423536
  • Name: 4-ethoxy-N-(2-methoxy-5-morpholin-4-ylsulfony lphenyl)benzenesulfonamide
  • MW: 456.533 | Formula: C19H24N2O7S2
  • H donors: 1 H acceptors: 4 LogP: 1.53 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)S(=O)(=O)Nc1cc(ccc1OC)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C19H24N2O7S2/c1-3-28-15-4-6-16(7-5-15)29(22,23)20-18-14-17(8-9-19(18)26-2)30(24,25)21-10-12-27-13-11-21/h4-9,14,20H,3,10-13H2,1-2H3
  • InChiKey: FXALXDNEDHGYOR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-ethoxy-N-(2-methoxy-5-morpholinosulfonyl-phenyl)benzenesulfonamide
  • 4-ethoxy-N-(2-methoxy-5-morpholinosulfonylphenyl)benzenesulfonamide
  • 4-ethoxy-N-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)benzenesulfonamide
  • T0516-2308

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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 protein tyrosine phosphatase, putative 0.0186 0.3887 0.5
Brugia malayi glutathione reductase 0.0046 0.0624 0.0624
Loa Loa (eye worm) hypothetical protein 0.0033 0.0313 0.0121
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0624 0.0536
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.201 0.7205
Schistosoma mansoni hypothetical protein 0.0165 0.3377 1
Loa Loa (eye worm) hypothetical protein 0.023 0.4894 0.902
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0313 0.0313
Loa Loa (eye worm) hypothetical protein 0.0036 0.0382 0.0254
Schistosoma mansoni lipoxygenase 0.0054 0.0792 0.1561
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.4894 1
Plasmodium vivax SET domain protein, putative 0.0036 0.0382 0.3507
Trichomonas vaginalis set domain proteins, putative 0.0286 0.6207 1
Echinococcus multilocularis geminin 0.0165 0.3377 0.6638
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0634 0.0634
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.067 0.067
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0577 0.0498
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0057 0.0882 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.5398 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0577 0.0862
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0382 0.0068
Onchocerca volvulus 0.0286 0.6207 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0577 0.0633
Onchocerca volvulus 0.0047 0.0634 0.0432
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0382 0.0224
Loa Loa (eye worm) glutathione reductase 0.0046 0.0624 0.0724
Onchocerca volvulus 0.0186 0.3887 0.6017
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.201 0.7205
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0186 0.3887 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0382 0.0224
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.0882 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.2285 0.8636
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0624 0.0724
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0382 0.0224
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.0792 0.0908
Brugia malayi hypothetical protein 0.023 0.4894 0.4894
Echinococcus granulosus geminin 0.0165 0.3377 0.6661
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.067 0.067
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0577 0.0433
Schistosoma mansoni hypothetical protein 0.0165 0.3377 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0186 0.3887 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0624 0.5914
Brugia malayi Thioredoxin reductase 0.0046 0.0624 0.0624
Toxoplasma gondii thioredoxin reductase 0.0046 0.0624 1
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0186 0.3887 0.3887
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0186 0.3887 0.5644
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0186 0.3887 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0577 0.0862
Leishmania major trypanothione reductase 0.0046 0.0624 0.5914
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.201 0.7205
Brugia malayi Pre-SET motif family protein 0.0251 0.5398 0.5398
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0186 0.3887 0.5644
Plasmodium falciparum thioredoxin reductase 0.0046 0.0624 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.2285 0.8636
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.0792 0.0969
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0577 0.0862
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0577 0.0433
Schistosoma mansoni survival motor neuron protein 0.0047 0.0634 0.1046
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.201 0.7205
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0577 0.0498
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0129 0.2548 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0382 0.0224
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0186 0.3887 0.5644
Echinococcus granulosus survival motor neuron protein 1 0.023 0.4894 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.201 0.7205
Brugia malayi Pre-SET motif family protein 0.0036 0.0382 0.0382
Plasmodium falciparum glutathione reductase 0.0046 0.0624 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0186 0.3887 0.5644
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.0882 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.2285 0.8636
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0577 0.0577
Leishmania major hypothetical protein, conserved 0.0057 0.0882 1
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0624 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.067 0.0814
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0382 0.3507
Mycobacterium tuberculosis Probable reductase 0.0106 0.201 0.7205
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0186 0.3887 0.7064
Trypanosoma brucei trypanothione reductase 0.0046 0.0624 0.5914
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0624 0.0601
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.2285 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.067 0.0814
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0186 0.3887 0.5644
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0186 0.3887 0.5644
Brugia malayi hypothetical protein 0.003 0.0251 0.0251
Plasmodium vivax glutathione reductase, putative 0.0046 0.0624 1
Schistosoma mansoni hypothetical protein 0.0047 0.0634 0.1046

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 1.7783 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) 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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