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

Hover on a compound node to display the structore

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 ataxin 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.