Detailed information for compound 1266164

Basic information

Technical information
  • TDR Targets ID: 1266164
  • Name: N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxoqui noxalin-6-yl)-4-(2-methylpropyl)benzenesulfon amide
  • MW: 486.584 | Formula: C24H30N4O5S
  • H donors: 1 H acceptors: 4 LogP: 2.67 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Cc1ccc(cc1)S(=O)(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)c(=O)n2C)C
  • InChi: 1S/C24H30N4O5S/c1-16(2)13-17-5-7-18(8-6-17)34(31,32)25-19-14-21-22(27(4)24(30)23(29)26(21)3)15-20(19)28-9-11-33-12-10-28/h5-8,14-16,25H,9-13H2,1-4H3
  • InChiKey: ITKWKFDZJCBVEW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,4-dimethyl-7-morpholino-2,3-dioxo-quinoxalin-6-yl)-4-isobutyl-benzenesulfonamide
  • N-(1,4-dimethyl-7-morpholino-2,3-dioxo-6-quinoxalinyl)-4-isobutylbenzenesulfonamide
  • N-(2,3-diketo-1,4-dimethyl-7-morpholino-quinoxalin-6-yl)-4-isobutyl-benzenesulfonamide
  • N-(1,4-dimethyl-7-morpholin-4-yl-2,3-dioxo-quinoxalin-6-yl)-4-(2-methylpropyl)benzenesulfonamide
  • G221-0874
  • NCGC00129526-01

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
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0012 0.018 0.018
Loa Loa (eye worm) hypothetical protein 0.0023 0.1352 0.1352
Schistosoma mansoni hypothetical protein 0.0043 0.367 1
Echinococcus granulosus lamin 0.0023 0.1352 0.3603
Brugia malayi Intermediate filament tail domain containing protein 0.0023 0.1352 0.1193
Echinococcus multilocularis lamin dm0 0.0023 0.1352 0.3603
Echinococcus multilocularis lamin 0.0023 0.1352 0.3603
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.367 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.367 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0046 0.0046
Loa Loa (eye worm) transcription factor SMAD2 0.01 1 1
Brugia malayi hypothetical protein 0.0043 0.367 0.3554
Echinococcus granulosus lamin dm0 0.0023 0.1352 0.3603
Onchocerca volvulus 0.0023 0.1352 0.5
Onchocerca volvulus 0.0023 0.1352 0.5
Loa Loa (eye worm) intermediate filament protein 0.0023 0.1352 0.1352
Echinococcus multilocularis musashi 0.0023 0.1352 0.3603
Loa Loa (eye worm) hypothetical protein 0.0022 0.1306 0.1306
Echinococcus granulosus intermediate filament protein 0.0023 0.1352 0.3603
Entamoeba histolytica hypothetical protein 0.0043 0.367 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0023 0.1352 0.1352
Entamoeba histolytica hypothetical protein 0.0043 0.367 0.5
Brugia malayi intermediate filament protein 0.0023 0.1352 0.1193
Entamoeba histolytica hypothetical protein 0.0043 0.367 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.367 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.367 1
Loa Loa (eye worm) MH2 domain-containing protein 0.01 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.5821 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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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