Detailed information for compound 615876

Basic information

Technical information
  • TDR Targets ID: 615876
  • Name: ethyl 1-oxoisothiochromene-3-carboxylate
  • MW: 234.271 | Formula: C12H10O3S
  • H donors: 0 H acceptors: 2 LogP: 2.88 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cc2ccccc2c(=O)s1
  • InChi: 1S/C12H10O3S/c1-2-15-11(13)10-7-8-5-3-4-6-9(8)12(14)16-10/h3-7H,2H2,1H3
  • InChiKey: WYIRXVPPOUHRAR-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-oxo-3-isothiochromenecarboxylic acid ethyl ester
  • 1-ketoisothiochromene-3-carboxylic acid ethyl ester
  • IDI1_011245
  • AP-906/42288220
  • ZINC00079323
  • ST5075969
  • IFLab1_005842

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
Entamoeba histolytica carbonic anhydrase, putative 0.1078 0.7322 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0856 0.5725 0.7819
Schistosoma mansoni hypothetical protein 0.0318 0.1859 0.2539
Echinococcus granulosus nuclear factor of activated T cells 5 0.0084 0.018 0.0239
Schistosoma mansoni hypothetical protein 0.0065 0.0045 0.0061
Schistosoma mansoni hypothetical protein 0.0065 0.0045 0.0061
Onchocerca volvulus 0.0059 0 0.5
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.074 0.4892 0.5187
Schistosoma mansoni carbonic anhydrase-related 0.0318 0.1859 0.2539
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0856 0.5725 1
Echinococcus granulosus carbonic anhydrase 0.0318 0.1859 0.3193
Loa Loa (eye worm) MH2 domain-containing protein 0.0622 0.4043 0.7062
Trichomonas vaginalis conserved hypothetical protein 0.145 1 0.5
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0318 0.1859 0.3193
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0084 0.018 0.0239
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0318 0.1859 0.3193
Echinococcus multilocularis tumor protein p63 0.0404 0.2477 0.4282
Echinococcus granulosus microtubule associated protein 2 0.0719 0.474 0.8266
Echinococcus multilocularis microtubule associated protein 2 0.0719 0.474 0.8266
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0206 0.1059 0.1786
Plasmodium falciparum carbonic anhydrase 0.0318 0.1859 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0318 0.1859 0.2539
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0318 0.1859 0.3193
Brugia malayi latrophilin 2 splice variant baaae 0.0141 0.059 0.0959
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0318 0.1859 0.3247
Echinococcus granulosus tumor protein p63 0.0404 0.2477 0.4282
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0856 0.5725 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0856 0.5725 0.5
Schistosoma mansoni hypothetical protein 0.0065 0.0045 0.0061
Echinococcus multilocularis carbonic anhydrase 0.0318 0.1859 0.3193
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.0045 0.0078
Schistosoma mansoni carbonic anhydrase 0.1078 0.7322 1
Trichomonas vaginalis conserved hypothetical protein 0.145 1 0.5
Loa Loa (eye worm) carbonic anhydrase 3 0.0856 0.5725 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.059 0.103
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0856 0.5725 0.7819
Echinococcus multilocularis carbonic anhydrase II 0.0856 0.5725 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0206 0.1059 0.1786
Echinococcus multilocularis carbonic anhydrase 0.0318 0.1859 0.3193
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0856 0.5725 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0318 0.1859 0.2539
Loa Loa (eye worm) hypothetical protein 0.0318 0.1859 0.3247
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1078 0.7322 0.5
Schistosoma mansoni hypothetical protein 0.0065 0.0045 0.0061
Echinococcus granulosus carbonic anhydrase 0.0318 0.1859 0.3193
Loa Loa (eye worm) hypothetical protein 0.0318 0.1859 0.3247
Loa Loa (eye worm) hypothetical protein 0.0065 0.0045 0.0078
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0318 0.1859 0.3193
Loa Loa (eye worm) transcription factor SMAD2 0.0622 0.4043 0.7062
Loa Loa (eye worm) hypothetical protein 0.0318 0.1859 0.3247
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1112 0.757 1
Toxoplasma gondii hypothetical protein 0.0318 0.1859 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0719 0.474 0.6474
Schistosoma mansoni carbonic anhydrase 0.0318 0.1859 0.2539
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0856 0.5725 1
Echinococcus granulosus carbonic anhydrase 0.0318 0.1859 0.3193
Echinococcus granulosus carbonic anhydrase II 0.0856 0.5725 1
Leishmania major carbonic anhydrase family protein, putative 0.1078 0.7322 1
Brugia malayi MH2 domain containing protein 0.0622 0.4043 0.7039
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0856 0.5725 0.5
Loa Loa (eye worm) hypothetical protein 0.0206 0.1059 0.185
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0206 0.1059 0.185
Echinococcus multilocularis carbonic anhydrase 0.0318 0.1859 0.3193
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0318 0.1859 0.3193
Schistosoma mansoni hypothetical protein 0.0141 0.059 0.0805

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -3.91 % Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei strain 90-13 assessed as inhibition of parasite growth at 10 ug/ml after 72 hrs by resazurin reduction test ChEMBL. 24530491
Inhibition (functional) = 35.82 % Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei strain 90-13 assessed as inhibition of parasite growth at 1 ug/ml after 72 hrs by resazurin reduction test ChEMBL. 24530491

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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