Detailed information for compound 1482064

Basic information

Technical information
  • TDR Targets ID: 1482064
  • Name: [2-oxo-2-[(3-sulfamoylphenyl)amino]ethyl] 3,5 -dimethyl-1,2-oxazole-4-carboxylate
  • MW: 353.35 | Formula: C14H15N3O6S
  • H donors: 2 H acceptors: 5 LogP: 0.49 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)S(=O)(=O)N)COC(=O)c1c(C)noc1C
  • InChi: 1S/C14H15N3O6S/c1-8-13(9(2)23-17-8)14(19)22-7-12(18)16-10-4-3-5-11(6-10)24(15,20)21/h3-6H,7H2,1-2H3,(H,16,18)(H2,15,20,21)
  • InChiKey: ZAYZYAFBOYNORY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-oxo-2-[(3-sulfamoylphenyl)amino]ethyl] 3,5-dimethylisoxazole-4-carboxylate
  • 3,5-dimethyl-4-isoxazolecarboxylic acid [2-oxo-2-[(3-sulfamoylphenyl)amino]ethyl] ester
  • 3,5-dimethylisoxazole-4-carboxylic acid [2-keto-2-[(3-sulfamoylphenyl)amino]ethyl] ester
  • T5341126
  • ZINC05950863
  • MLS000394192
  • SMR000248532

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
Echinococcus multilocularis histone deacetylase 8 0.0038 0.115 0.115
Trypanosoma cruzi histone deacetylase, putative 0.0038 0.115 1
Onchocerca volvulus 0.0066 0.2929 1
Brugia malayi histone deacetylase 1 (HD1) 0.0038 0.115 0.2819
Schistosoma mansoni histone deacetylase hda2 0.0038 0.115 0.115
Echinococcus multilocularis histone deacetylase 0.0038 0.115 0.115
Schistosoma mansoni jun-related protein 0.0068 0.3076 0.3076
Echinococcus multilocularis histone deacetylase 6 0.0038 0.115 0.115
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0038 0.115 1
Trichomonas vaginalis histone deacetylase, putative 0.0038 0.115 1
Trypanosoma cruzi histone deacetylase, putative 0.0038 0.115 1
Leishmania major histone deacetylase, putative 0.0038 0.115 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0084 0.4081 0.4081
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0084 0.4081 0.4081
Trypanosoma brucei histone deacetylase 3 0.0038 0.115 1
Schistosoma mansoni histone deacetylase 0.0038 0.115 0.115
Leishmania major histone deacetylase, putative 0.0038 0.115 1
Plasmodium falciparum histone deacetylase 1 0.0038 0.115 0.5
Loa Loa (eye worm) histone deacetylase 3 0.0038 0.115 0.2924
Trichomonas vaginalis histone deacetylase, putative 0.0038 0.115 1
Entamoeba histolytica hypothetical protein 0.0043 0.1487 1
Brugia malayi bZIP transcription factor family protein 0.0084 0.4081 1
Schistosoma mansoni hypothetical protein 0.0068 0.3076 0.3076
Loa Loa (eye worm) hypothetical protein 0.0038 0.115 0.2924
Trypanosoma cruzi histone deacetylase 1, putative 0.0038 0.115 1
Plasmodium falciparum histone deacetylase 2 0.0038 0.115 0.5
Schistosoma mansoni histone deacetylase hda2 0.0038 0.115 0.115
Leishmania major histone deacetylase, putative 0.0038 0.115 1
Schistosoma mansoni hypothetical protein 0.0177 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0038 0.115 1
Schistosoma mansoni histone deacetylase 4 5 0.0038 0.115 0.115
Loa Loa (eye worm) histone deacetylase 11 0.0038 0.115 0.2924
Brugia malayi histone deacetylase 11 0.0038 0.115 0.2819
Echinococcus multilocularis histone deacetylase 6 0.0038 0.115 0.115
Echinococcus multilocularis histone deacetylase 7 0.0038 0.115 0.115
Toxoplasma gondii histone deacetylase HDAC3 0.0038 0.115 0.5
Entamoeba histolytica histone deacetylase, putative 0.0038 0.115 0.7735
Brugia malayi Histone deacetylase family protein 0.0038 0.115 0.2819
Toxoplasma gondii histone deacetylase HDAC4 0.0038 0.115 0.5
Brugia malayi hypothetical protein 0.0066 0.2929 0.7176
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0038 0.115 1
Echinococcus multilocularis jun protein 0.0084 0.4081 0.4081
Entamoeba histolytica hypothetical protein 0.0043 0.1487 1
Trypanosoma cruzi histone deacetylase, putative 0.0038 0.115 1
Brugia malayi hypothetical protein 0.0043 0.1487 0.3644
Brugia malayi histone deacetylase 3 (HD3) 0.0038 0.115 0.2819
Loa Loa (eye worm) hypothetical protein 0.0082 0.3934 1
Schistosoma mansoni hypothetical protein 0.0177 1 1
Toxoplasma gondii histone deacetylase HDAC5 0.0038 0.115 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1487 0.1487
Echinococcus granulosus histone deacetylase 6 0.0038 0.115 0.115
Trypanosoma brucei histone deacetylase 2 0.0038 0.115 1
Trichomonas vaginalis histone deacetylase, putative 0.0038 0.115 1
Brugia malayi Histone deacetylase 1 0.0038 0.115 0.2819
Trypanosoma cruzi histone deacetylase, putative 0.0038 0.115 1
Trichomonas vaginalis histone deacetylase, putative 0.0038 0.115 1
Trichomonas vaginalis histone deacetylase, putative 0.0038 0.115 1
Schistosoma mansoni histone deacetylase 0.0038 0.115 0.115
Trypanosoma cruzi histone deacetylase 1, putative 0.0038 0.115 1
Loa Loa (eye worm) histone deacetylase 7A 0.0038 0.115 0.2924
Echinococcus multilocularis histone deacetylase 3 0.0038 0.115 0.115
Loa Loa (eye worm) histone deacetylase 0.0038 0.115 0.2924
Trypanosoma brucei histone deacetylase 4 0.0038 0.115 1
Echinococcus granulosus histone deacetylase 3 0.0038 0.115 0.115
Echinococcus granulosus histone deacetylase 0.0038 0.115 0.115
Trichomonas vaginalis histone deacetylase, putative 0.0038 0.115 1
Plasmodium falciparum histone deacetylase, putative 0.0038 0.115 0.5
Leishmania major histone deacetylase, putative 0.0038 0.115 1
Echinococcus granulosus histone deacetylase 7 0.0038 0.115 0.115
Echinococcus granulosus histone deacetylase 1 0.0038 0.115 0.115
Plasmodium vivax histone deacetylase, putative 0.0038 0.115 0.5
Schistosoma mansoni histone deacetylase 1 2 3 0.0038 0.115 0.115
Schistosoma mansoni hypothetical protein 0.0043 0.1487 0.1487
Echinococcus multilocularis histone deacetylase 1 0.0038 0.115 0.115
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0 0.5
Plasmodium vivax histone deacetylase 2, putative 0.0038 0.115 0.5
Echinococcus multilocularis histone deacetylase 6 0.0038 0.115 0.115
Mycobacterium ulcerans DNA polymerase IV 0.002 0 0.5
Trypanosoma brucei histone deacetylase 1 0.0038 0.115 1
Echinococcus granulosus jun protein 0.0084 0.4081 0.4081
Entamoeba histolytica hypothetical protein 0.0043 0.1487 1
Mycobacterium ulcerans DNA polymerase IV 0.002 0 0.5
Loa Loa (eye worm) histone deacetylase 1 0.0038 0.115 0.2924
Loa Loa (eye worm) hypothetical protein 0.0038 0.115 0.2924
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1487 0.1487
Trypanosoma brucei histone deacetylase, putative 0.0038 0.115 1
Trypanosoma cruzi histone deacetylase, putative 0.0038 0.115 1
Echinococcus granulosus histone deacetylase 6 0.0038 0.115 0.115
Entamoeba histolytica hypothetical protein 0.0043 0.1487 1
Echinococcus multilocularis geminin 0.0177 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0038 0.115 0.115
Echinococcus granulosus histone deacetylase 8 0.0038 0.115 0.115
Toxoplasma gondii histone deacetylase HDAC2 0.0038 0.115 0.5
Echinococcus granulosus histone deacetylase 6 0.0038 0.115 0.115
Plasmodium vivax histone deacetylase 1, putative 0.0038 0.115 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1487 0.1487
Brugia malayi Histone deacetylase family protein 0.0038 0.115 0.2819
Giardia lamblia Histone deacetylase 0.0038 0.115 1
Plasmodium vivax histone deacetylase, putative 0.0038 0.115 0.5
Toxoplasma gondii histone deacetylase HDAC1 0.0038 0.115 0.5

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 (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (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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