Detailed information for compound 1329347

Basic information

Technical information
  • TDR Targets ID: 1329347
  • Name: 2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trime thylphenyl)acetamide
  • MW: 335.4 | Formula: C20H21N3O2
  • H donors: 1 H acceptors: 3 LogP: 3.91 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c(C)cc(cc1C)C)COc1nc2ccccc2nc1C
  • InChi: 1S/C20H21N3O2/c1-12-9-13(2)19(14(3)10-12)23-18(24)11-25-20-15(4)21-16-7-5-6-8-17(16)22-20/h5-10H,11H2,1-4H3,(H,23,24)
  • InChiKey: BCCOAEYCESHKJS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(3-methyl-2-quinoxalinyl)oxy]-N-(2,4,6-trimethylphenyl)acetamide
  • 2-(3-methylquinoxalin-2-yl)oxy-N-(2,4,6-trimethylphenyl)ethanamide
  • ZINC03337598
  • MLS000336061
  • SMR000253915
  • T5310918

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.034 0.0665
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0162 0.1861 0.1861
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0162 0.1861 1
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0413 0.5115 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0162 0.1861 1
Loa Loa (eye worm) acetyltransferase 0.0175 0.2031 0.397
Schistosoma mansoni survival motor neuron protein 0.0058 0.0517 0.2548
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.043 0.2309
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.2031 0.2031
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0162 0.1861 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.034 0.1674
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.034 0.1674
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0162 0.1861 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0413 0.5115 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0162 0.1861 0.3638
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0413 0.5115 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.043 0.084
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.1967 0.568
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.2031 0.397
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0162 0.1861 0.3638
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.043 0.2309
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.043 0.084
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0413 0.5115 1
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0162 0.1861 0.5373
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.034 0.0982
Loa Loa (eye worm) hypothetical protein 0.0286 0.3463 0.6771
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0517 0.1012
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0162 0.1861 0.3638
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.034 0.1674
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.3463 1
Onchocerca volvulus 0.0413 0.5115 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0413 0.5115 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0374 0.201
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0413 0.5115 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0413 0.5115 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.034 0.034
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0413 0.5115 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0 0.5
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0413 0.5115 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.034 0.0982
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.043 0.2309
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0162 0.1861 0.3638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.034 0.034
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0162 0.1861 0.3638
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0413 0.5115 1
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0162 0.1861 0.3638
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0413 0.5115 1
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0374 0.0731
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0374 0.0731
Brugia malayi hypothetical protein 0.0286 0.3463 0.6771
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0162 0.1861 0.3638
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0413 0.5115 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0162 0.1861 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.3463 0.3463
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.034 0.0665
Schistosoma mansoni hypothetical protein 0.0058 0.0517 0.2548
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0162 0.1861 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0413 0.5115 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0162 0.1861 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.043 0.1241
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.2031 1
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0162 0.1861 0.9163

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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