Detailed information for compound 835273

Basic information

Technical information
  • TDR Targets ID: 835273
  • Name: ethyl 2-[6-[(2,5-dimethylphenyl)sulfamoyl]-2- oxo-1,3-benzoxazol-3-yl]acetate
  • MW: 404.437 | Formula: C19H20N2O6S
  • H donors: 1 H acceptors: 4 LogP: 2.86 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)Cn1c(=O)oc2c1ccc(c2)S(=O)(=O)Nc1cc(C)ccc1C
  • InChi: 1S/C19H20N2O6S/c1-4-26-18(22)11-21-16-8-7-14(10-17(16)27-19(21)23)28(24,25)20-15-9-12(2)5-6-13(15)3/h5-10,20H,4,11H2,1-3H3
  • InChiKey: QPCBRZJLBZTPOW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[6-[(2,5-dimethylphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid ethyl ester
  • 2-[6-[(2,5-dimethylphenyl)sulfamoyl]-2-keto-1,3-benzoxazol-3-yl]acetic acid ethyl ester
  • ethyl 2-[6-[(2,5-dimethylphenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]ethanoate

Targets

Known targets for this compound

No curated genes were found associated with this compound

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 ectonucleotide pyrophosphatase:phosphodiesterase 0.0068 0.1821 0.6722
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.025 0.8746 1
Onchocerca volvulus 0.0068 0.1821 0.2686
Loa Loa (eye worm) hypothetical protein 0.0068 0.1821 0.2082
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0091 0.2708 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.3916 0.4478
Brugia malayi methionyl-tRNA synthetase 0.0053 0.1253 0.1433
Echinococcus multilocularis Endonuclease G 0.0041 0.0785 0.2898
Loa Loa (eye worm) hypothetical protein 0.0057 0.1413 0.1615
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 1 1
Giardia lamblia Kinase, PLK 0.0091 0.2708 0.2708
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 1 1
Leishmania major endonuclease G, putative 0.0041 0.0785 0.2898
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.4489 1
Brugia malayi MH2 domain containing protein 0.0123 0.3916 0.4478
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0068 0.1821 0.6722
Schistosoma mansoni serine/threonine protein kinase 0.0091 0.2708 0.5612
Echinococcus multilocularis ectonucleotide 0.0057 0.1413 0.5215
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.5809 0.5369
Brugia malayi serine/threonine-protein kinase plk-2 0.0091 0.2708 0.3097
Loa Loa (eye worm) hypothetical protein 0.0249 0.8698 0.9945
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0068 0.1821 0.6722
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.5473 0.4997
Loa Loa (eye worm) hypothetical protein 0.0033 0.0483 0.0552
Loa Loa (eye worm) hypothetical protein 0.0068 0.1821 0.2082
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0068 0.1821 0.6722
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.2708 1
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.5809 0.5369
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.1064 0.1217
Trypanosoma cruzi polo-like protein kinase, putative 0.0091 0.2708 1
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.8746 0.8614
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0068 0.1821 0.3772
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2708 0.1943
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0053 0.1253 0.2434
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0068 0.1821 0.2082
Entamoeba histolytica serine/threonine protein kinase, putative 0.0091 0.2708 0.2708
Schistosoma mansoni endonuclease related 0.0041 0.0785 0.1626
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0033 0.0479 0.0548
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.5473 0.4997
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0483 0.0552
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0057 0.1413 0.5215
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.1064 0.1217
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0068 0.1821 0.6722
Leishmania major methionyl-tRNA synthetase, putative 0.0053 0.1253 0.4627
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.8746 0.8614
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0053 0.1253 1
Schistosoma mansoni hypothetical protein 0.0147 0.4826 1
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2708 0.1943
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0068 0.1821 0.6722
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0041 0.0785 0.2898
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0068 0.1821 0.6722
Brugia malayi Thrombospondin type 1 domain containing protein 0.0147 0.4826 0.5518
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.8746 0.8614
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0053 0.1253 0.2791
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.5473 0.4997
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0053 0.1253 0.0335
Chlamydia trachomatis methionine--tRNA ligase 0.002 0 0.5
Echinococcus granulosus Endonuclease G 0.0041 0.0785 0.2898
Trypanosoma brucei polo-like protein kinase 0.0091 0.2708 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.1064 0.1217
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.8746 0.8614
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.025 0.8746 1
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0041 0.0785 0.6263
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.5473 0.4997
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0091 0.2708 0.3097
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 1 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.1821 0.2082
Giardia lamblia Fructose-bisphosphate aldolase 0.0283 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.0483 0.1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0068 0.1821 0.3772
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0091 0.2708 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0068 0.1821 0.6722
Onchocerca volvulus Glucosylceramidase homolog 0.0164 0.5473 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0057 0.1413 0.5215
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 1 1
Onchocerca volvulus 0.0147 0.4826 0.8706
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.5473 0.4997
Schistosoma mansoni methionine-tRNA synthetase 0.0053 0.1253 0.2596
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2708 0.1943
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0068 0.1821 0.6722
Schistosoma mansoni kinase 0.0046 0.0996 0.2064
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2708 0.1943
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0053 0.1253 0.2434
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0283 1 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.4489 1
Plasmodium falciparum methionine--tRNA ligase 0.0053 0.1253 1
Echinococcus granulosus methionine tRNA synthetase 0.0053 0.1253 0.4627
Onchocerca volvulus 0.0068 0.1821 0.2686
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.4489 1
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.5473 0.4997
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0283 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.8746 0.8614
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.1064 0.1217
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0068 0.1821 0.3772
Toxoplasma gondii methionyl-tRNA synthetase 0.0053 0.1253 1
Plasmodium vivax methionine--tRNA ligase, putative 0.0053 0.1253 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0068 0.1821 0.3772
Brugia malayi photoreceptor-specific nuclear receptor 0.0249 0.8698 0.9945
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.3916 0.4478
Onchocerca volvulus Serine\/threonine kinase homolog 0.0091 0.2708 0.4464
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0068 0.1821 0.6722
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0147 0.4826 0.5518
Echinococcus granulosus ectonucleotide 0.0057 0.1413 0.5215
Brugia malayi endonuclease G, mitochondrial precursor 0.0041 0.0785 0.0897
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2708 0.1943
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0068 0.1821 0.6722
Chlamydia trachomatis leucine--tRNA ligase 0.002 0 0.5
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0091 0.2708 1
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.8746 0.8614
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2708 0.1943
Giardia lamblia Methionyl-tRNA synthetase 0.0053 0.1253 0.1253
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.5473 0.4997
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0053 0.1253 0.1433
Treponema pallidum fructose-bisphosphate aldolase 0.0283 1 1
Echinococcus multilocularis methionine tRNA synthetase 0.0053 0.1253 0.4627
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.2708 0.1943

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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