Detailed information for compound 1529632

Basic information

Technical information
  • TDR Targets ID: 1529632
  • Name: N-[2,6-dimethyl-3-[(3-oxo-2,4-dihydroquinoxal in-1-yl)sulfonyl]phenyl]methanesulfonamide
  • MW: 409.48 | Formula: C17H19N3O5S2
  • H donors: 2 H acceptors: 5 LogP: 1.3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2ccccc2N(C1)S(=O)(=O)c1ccc(c(c1C)NS(=O)(=O)C)C
  • InChi: 1S/C17H19N3O5S2/c1-11-8-9-15(12(2)17(11)19-26(3,22)23)27(24,25)20-10-16(21)18-13-6-4-5-7-14(13)20/h4-9,19H,10H2,1-3H3,(H,18,21)
  • InChiKey: TUACYETWEBHVPU-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[3-[(3-keto-2,4-dihydroquinoxalin-1-yl)sulfonyl]-2,6-dimethyl-phenyl]methanesulfonamide
  • ZINC04751757
  • A3955/0168514

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

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
Schistosoma mansoni hypothetical protein 0.0043 0.039 0.039
Echinococcus multilocularis hexokinase 0.0566 1 1
Loa Loa (eye worm) hypothetical protein 0.0386 0.6691 0.6691
Entamoeba histolytica hexokinase 1 0.0566 1 1
Loa Loa (eye worm) hypothetical protein 0.0097 0.1385 0.1385
Loa Loa (eye worm) hexokinase 0.0355 0.6121 0.6121
Onchocerca volvulus 0.0566 1 1
Plasmodium falciparum hexokinase 0.0566 1 0.5
Onchocerca volvulus 0.0566 1 1
Trypanosoma cruzi hexokinase, putative 0.0566 1 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0112 0.1657 0.1657
Entamoeba histolytica hexokinase 2 0.0566 1 1
Trypanosoma cruzi hexokinase, putative 0.0566 1 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0033 0.019 0.019
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0112 0.1657 0.1657
Trypanosoma brucei hexokinase 0.0566 1 0.5
Trypanosoma brucei hexokinase 0.0566 1 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0033 0.019 0.019
Loa Loa (eye worm) hypothetical protein 0.018 0.2901 0.2901
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.039 0.039
Echinococcus granulosus hexokinase 0.0566 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0105 0.1521 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.039 0.039
Loa Loa (eye worm) hexokinase type II 0.0566 1 1
Treponema pallidum hexokinase (hxk) 0.0566 1 0.5
Echinococcus multilocularis voltage gated potassium channel 0.0033 0.019 0.019
Echinococcus granulosus hexokinase 0.0566 1 1
Echinococcus multilocularis hexokinase 0.0566 1 1
Loa Loa (eye worm) hypothetical protein 0.018 0.2901 0.2901
Echinococcus multilocularis hexokinase 0.0566 1 1
Echinococcus multilocularis hexokinase type 2 0.0566 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0112 0.1657 0.1657
Schistosoma mansoni voltage-gated potassium channel 0.0123 0.1847 0.1847
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.039 0.039
Plasmodium vivax hexokinase, putative 0.0566 1 0.5
Loa Loa (eye worm) hexokinase 0.0566 1 1
Echinococcus granulosus hexokinase type 2 0.0566 1 1
Loa Loa (eye worm) hexokinase 0.0175 0.2812 0.2812
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0033 0.019 0.019
Schistosoma mansoni hexokinase 0.0566 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0033 0.019 0.019
Echinococcus granulosus voltage gated potassium channel 0.0033 0.019 0.019
Onchocerca volvulus 0.0566 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.019 0.019
Brugia malayi Hexokinase family protein 0.0175 0.2812 0.2812
Leishmania major hexokinase, putative 0.0566 1 0.5
Brugia malayi Hexokinase family protein 0.0566 1 1
Toxoplasma gondii hexokinase 0.0566 1 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0123 0.1847 0.1847
Brugia malayi Hexokinase family protein 0.0355 0.6121 0.6121
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.034 0.5851 0.5851
Loa Loa (eye worm) hexokinase 0.0566 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0112 0.1657 0.1657
Trypanosoma brucei hexokinase, putative 0.0566 1 0.5
Echinococcus granulosus hexokinase 0.0566 1 1
Brugia malayi hexokinase type II 0.018 0.2901 0.2901
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0105 0.1521 1
Leishmania major hexokinase, putative 0.0566 1 0.5
Brugia malayi hypothetical protein 0.0043 0.039 0.039
Schistosoma mansoni voltage-gated potassium channel 0.0033 0.019 0.019

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.3078 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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