Detailed information for compound 419372

Basic information

Technical information
  • TDR Targets ID: 419372
  • Name: 3-[2-(4-methoxyphenyl)ethyl]-2-sulfanylidene- 1,3-thiazolidin-4-one
  • MW: 267.367 | Formula: C12H13NO2S2
  • H donors: 0 H acceptors: 1 LogP: 2.78 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CCN1C(=S)SCC1=O
  • InChi: 1S/C12H13NO2S2/c1-15-10-4-2-9(3-5-10)6-7-13-11(14)8-17-12(13)16/h2-5H,6-8H2,1H3
  • InChiKey: XKQMYYNWVQQGPH-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-[2-(4-methoxyphenyl)ethyl]-2-thioxo-thiazolidin-4-one
  • 3-[2-(4-methoxyphenyl)ethyl]-2-thioxo-4-thiazolidinone
  • Rhodanine-Related Derivatives 27

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
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0165 0.0776 0.3365
Schistosoma mansoni slit 0.0044 0.0175 0.0483
Loa Loa (eye worm) hypothetical protein 0.0165 0.0776 0.3365
Loa Loa (eye worm) hypothetical protein 0.0136 0.0631 0.2737
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Echinococcus multilocularis neurogenic locus protein delta 0.0044 0.0175 0.0483
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Echinococcus granulosus delta-like protein 1 0.0044 0.0175 0.0483
Toxoplasma gondii hypothetical protein 0.0165 0.0776 1
Schistosoma mansoni hypothetical protein 0.0044 0.0175 0.0483
Mycobacterium ulcerans carbonic anhydrase 0.0098 0.0441 0.0169
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Onchocerca volvulus Chorion peroxidase homolog 0.0136 0.0631 0.2376
Schistosoma mansoni hypothetical protein 0.0044 0.0175 0.0483
Loa Loa (eye worm) hypothetical protein 0.0136 0.0631 0.2737
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0165 0.0776 0.3365
Loa Loa (eye worm) hypothetical protein 0.0165 0.0776 0.3365
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0109 0.0473
Brugia malayi Animal haem peroxidase family protein 0.0136 0.0631 0.2737
Echinococcus granulosus protein jagged 2 0.0044 0.0175 0.0483
Schistosoma mansoni notch 0.0044 0.0175 0.0483
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Brugia malayi GCC2 and GCC3 family protein 0.0044 0.0175 0.0757
Schistosoma mansoni peroxidasin 0.0136 0.0631 0.1745
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0004 0.0017
Brugia malayi Calcium binding EGF domain containing protein 0.0044 0.0175 0.0757
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Echinococcus granulosus cpg binding protein 0.0032 0.0118 0.0326
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0351 0.1701 1
Echinococcus multilocularis protein jagged 2 0.0044 0.0175 0.0483
Brugia malayi hypothetical protein 0.0027 0.0091 0.0393
Onchocerca volvulus 0.0474 0.2306 1
Schistosoma mansoni notch 0.0044 0.0175 0.0483
Loa Loa (eye worm) hypothetical protein 0.0474 0.2306 1
Brugia malayi Cadherin domain containing protein 0.0044 0.0175 0.0757
Leishmania major carbonic anhydrase family protein, putative 0.0098 0.0441 0.2178
Schistosoma mansoni septate junction protein 0.0044 0.0175 0.0483
Brugia malayi Animal haem peroxidase family protein 0.0136 0.0631 0.2737
Echinococcus multilocularis carbonic anhydrase II 0.0351 0.1701 0.4702
Brugia malayi Calcium binding EGF domain containing protein 0.0044 0.0175 0.0757
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0064 0.0277 0.1155
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Schistosoma mansoni hypothetical protein 0.0437 0.2126 0.5879
Echinococcus granulosus neurogenic locus notch protein 0.0044 0.0175 0.0483
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0044 0.0175 0.0757
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0351 0.1701 0.4702
Loa Loa (eye worm) hypothetical protein 0.0474 0.2306 1
Brugia malayi notch-like transmembrane receptor 0.0044 0.0175 0.0757
Schistosoma mansoni carbonic anhydrase-related 0.0165 0.0776 0.2146
Echinococcus granulosus carbonic anhydrase 0.0165 0.0776 0.2146
Schistosoma mansoni notch 0.0044 0.0175 0.0483
Schistosoma mansoni hypothetical protein 0.0044 0.0175 0.0483
Echinococcus multilocularis neurogenic locus notch protein 0.0044 0.0175 0.0483
Echinococcus multilocularis carbonic anhydrase 0.0165 0.0776 0.2146
Loa Loa (eye worm) hypothetical protein 0.016 0.0749 0.3249
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0064 0.0277 0.1155
Onchocerca volvulus 0.0044 0.0175 0.0298
Echinococcus granulosus neurogenic locus protein delta 0.0044 0.0175 0.0483
Schistosoma mansoni notch 0.0044 0.0175 0.0483
Echinococcus granulosus dnaJ subfamily B 0.0437 0.2126 0.5879
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.059 0.2559
Giardia lamblia High cysteine protein 0.0044 0.0175 0.5
Schistosoma mansoni hypothetical protein 0.0044 0.0175 0.0483
Schistosoma mansoni cpg binding protein 0.0032 0.0118 0.0326
Echinococcus granulosus protein jagged 1 0.0044 0.0175 0.0483
Echinococcus multilocularis neurogenic locus notch protein 4 0.0044 0.0175 0.0483
Schistosoma mansoni cpg binding protein 0.0032 0.0118 0.0326
Echinococcus multilocularis carbonic anhydrase 0.0165 0.0776 0.2146
Onchocerca volvulus Peroxidase homolog 0.0136 0.0631 0.2376
Onchocerca volvulus Peroxidase homolog 0.0136 0.0631 0.2376
Brugia malayi Animal haem peroxidase family protein 0.0136 0.0631 0.2737
Brugia malayi hypothetical protein 0.0017 0.0043 0.0187
Brugia malayi EGF-like domain containing protein 0.0044 0.0175 0.0757
Onchocerca volvulus 0.0136 0.0631 0.2376
Echinococcus granulosus peroxidasin 0.0136 0.0631 0.1745
Loa Loa (eye worm) hypothetical protein 0.0136 0.0631 0.2737
Brugia malayi EGF-like domain containing protein 0.0044 0.0175 0.0757
Echinococcus multilocularis neural cadherin 0.0044 0.0175 0.0483
Schistosoma mansoni hypothetical protein 0.0165 0.0776 0.2146
Onchocerca volvulus Putative cubilin 0.0044 0.0175 0.0298
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0064 0.0277 0.2714
Loa Loa (eye worm) notch protein 0.0044 0.0175 0.0757
Echinococcus granulosus protein jagged 1 0.0044 0.0175 0.0483
Onchocerca volvulus 0.0405 0.1964 0.8442
Schistosoma mansoni cpg binding protein 0.0031 0.0109 0.0302
Schistosoma mansoni cell polarity protein 0.0044 0.0175 0.0483
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Echinococcus multilocularis protein jagged 1 0.0044 0.0175 0.0483
Loa Loa (eye worm) hypothetical protein 0.0027 0.0091 0.0393
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0165 0.0776 0.3365
Loa Loa (eye worm) animal heme peroxidase 0.0136 0.0631 0.2737
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Schistosoma mansoni hypothetical protein 0.0044 0.0175 0.0483
Echinococcus granulosus carbonic anhydrase 0.0165 0.0776 0.2146
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0351 0.1701 0.7375
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.028 0.0774
Echinococcus granulosus neurogenic locus notch protein 0.0044 0.0175 0.0483
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0165 0.0776 0.3365
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0165 0.0776 0.3365
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0351 0.1701 0.7375
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0565 0.2759 0.0669
Loa Loa (eye worm) Notch2 0.0044 0.0175 0.0757
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Onchocerca volvulus Peroxidasin homolog 0.0136 0.0631 0.2376
Loa Loa (eye worm) hypothetical protein 0.0136 0.0631 0.2737
Loa Loa (eye worm) hypothetical protein 0.0136 0.0631 0.2737
Leishmania major carbonic anhydrase-like protein 0.0351 0.1701 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.0776 0.3365
Echinococcus granulosus protein jagged 2 0.0044 0.0175 0.0483
Loa Loa (eye worm) carbonic anhydrase 3 0.0351 0.1701 0.7375
Brugia malayi Cadherin domain containing protein 0.0044 0.0175 0.0757
Brugia malayi CXXC zinc finger family protein 0.0031 0.0109 0.0473
Entamoeba histolytica carbonic anhydrase, putative 0.0098 0.0441 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0351 0.1701 0.7375
Trichomonas vaginalis conserved hypothetical protein 0.2024 1 0.5
Schistosoma mansoni hypothetical protein 0.0044 0.0175 0.0483
Echinococcus multilocularis dnaJ subfamily B 0.0437 0.2126 0.5879
Echinococcus multilocularis protein jagged 1 0.0044 0.0175 0.0483
Echinococcus multilocularis neurogenic locus notch protein 0.0044 0.0175 0.0483
Echinococcus multilocularis muscleblind protein 0.016 0.0749 0.2071
Echinococcus granulosus carbonic anhydrase II 0.0351 0.1701 0.4702
Mycobacterium leprae Probable transmembrane transport protein 0.0467 0.2275 1
Echinococcus multilocularis notch 0.0044 0.0175 0.0483
Brugia malayi EGF-like domain containing protein 0.0044 0.0175 0.0757
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0148 0.0408
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0004 0.0011
Toxoplasma gondii EGF family domain-containing protein 0.0044 0.0175 0.1227
Brugia malayi EGF-like domain containing protein 0.0044 0.0175 0.0757
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0351 0.1701 1
Echinococcus granulosus microtubule associated protein 2 0.0738 0.3617 1
Echinococcus granulosus neurogenic locus notch protein 4 0.0044 0.0175 0.0483
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Onchocerca volvulus 0.0044 0.0175 0.0298
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Loa Loa (eye worm) hypothetical protein 0.0136 0.0631 0.2737
Echinococcus granulosus carbonic anhydrase 0.0165 0.0776 0.2146
Schistosoma mansoni hypothetical protein 0.0012 0.0017 0.0047
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0148 0.0408
Onchocerca volvulus 0.0044 0.0175 0.0298
Schistosoma mansoni hypothetical protein 0.0038 0.0148 0.0408
Echinococcus multilocularis peroxidasin 0.0136 0.0631 0.1745
Schistosoma mansoni carbonic anhydrase-related 0.0165 0.0776 0.2146
Loa Loa (eye worm) animal heme peroxidase 0.0136 0.0631 0.2737
Echinococcus granulosus slit 2 protein 0.0044 0.0175 0.0483
Loa Loa (eye worm) hypothetical protein 0.0136 0.0631 0.2737
Onchocerca volvulus 0.0136 0.0631 0.2376
Echinococcus multilocularis muscleblind protein 1 0.016 0.0749 0.2071
Echinococcus multilocularis fat cadherin tumor suppressor 0.0044 0.0175 0.0483
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Onchocerca volvulus 0.0136 0.0631 0.2376
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0148 0.0408
Schistosoma mansoni microtubule-associated protein tau 0.0738 0.3617 1
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0003 0.0015
Brugia malayi Muscleblind-like protein 0.016 0.0749 0.3249
Brugia malayi EGF-like domain containing protein 0.0044 0.0175 0.0757
Chlamydia trachomatis sulfate transporter 0.0064 0.0277 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0165 0.0776 0.2146
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0044 0.0175 0.0298
Echinococcus multilocularis microtubule associated protein 2 0.0738 0.3617 1
Onchocerca volvulus Slit protein homolog 0.0044 0.0175 0.0298
Brugia malayi Delta serrate ligand family protein 0.0044 0.0175 0.0757
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0044 0.0175 0.0483
Schistosoma mansoni hypothetical protein 0.0044 0.0175 0.0483
Onchocerca volvulus Putative sulfate transporter 0.0405 0.1964 0.8442
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0351 0.1701 0.4702
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Plasmodium falciparum carbonic anhydrase 0.0165 0.0776 1
Brugia malayi Animal haem peroxidase family protein 0.0136 0.0631 0.2737
Trichomonas vaginalis conserved hypothetical protein 0.2024 1 0.5
Plasmodium vivax sulfate transporter, putative 0.0064 0.0277 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Loa Loa (eye worm) hypothetical protein 0.0136 0.0631 0.2737
Loa Loa (eye worm) hypothetical protein 0.0136 0.0631 0.2737
Echinococcus multilocularis carbonic anhydrase 0.0165 0.0776 0.2146
Brugia malayi EGF-like domain containing protein 0.0044 0.0175 0.0757
Brugia malayi EGF-like domain containing protein 0.0044 0.0175 0.0757
Schistosoma mansoni notch 0.0044 0.0175 0.0483
Onchocerca volvulus 0.0044 0.0175 0.0298
Trypanosoma brucei carbonic anhydrase-like protein 0.0351 0.1701 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0245 0.226
Brugia malayi hypothetical protein 0.0474 0.2306 1
Loa Loa (eye worm) hypothetical protein 0.0136 0.0631 0.2737
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0064 0.0277 0.1155
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0017 0.0047
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1927 0.9516 1
Brugia malayi hypothetical protein 0.0038 0.0148 0.064
Onchocerca volvulus 0.0044 0.0175 0.0298
Echinococcus multilocularis cpg binding protein 0.0032 0.0118 0.0326
Brugia malayi Blistered cuticle protein 3 0.0136 0.0631 0.2737
Echinococcus multilocularis fibropellin Ia 0.0044 0.0175 0.0483
Loa Loa (eye worm) runx1 0.0059 0.0252 0.1091
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0017 0.0047
Schistosoma mansoni laminin gamma-3 chain 0.0044 0.0175 0.0483
Loa Loa (eye worm) hypothetical protein 0.016 0.0749 0.3249
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0004 0.0011
Schistosoma mansoni notch 0.0044 0.0175 0.0483
Loa Loa (eye worm) hypothetical protein 0.0044 0.0175 0.0757
Onchocerca volvulus Neurogenic locus notch homolog 0.0044 0.0175 0.0298
Schistosoma mansoni carbonic anhydrase 0.0098 0.0441 0.122
Brugia malayi Muscle positioning protein 4 0.0044 0.0175 0.0757
Loa Loa (eye worm) animal heme peroxidase 0.0136 0.0631 0.2737
Onchocerca volvulus Dual oxidase homolog 0.0136 0.0631 0.2376
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0064 0.0277 0.2714
Brugia malayi MH2 domain containing protein 0.0128 0.059 0.2559
Echinococcus granulosus muscleblind protein 0.016 0.0749 0.2071
Echinococcus multilocularis slit 2 protein 0.0044 0.0175 0.0483
Echinococcus granulosus neural cadherin 0.0044 0.0175 0.0483
Onchocerca volvulus Peroxidasin homolog 0.0136 0.0631 0.2376
Brugia malayi Peroxidasin 0.0136 0.0631 0.2737
Brugia malayi Animal haem peroxidase family protein 0.0136 0.0631 0.2737
Loa Loa (eye worm) hypothetical protein 0.0136 0.0631 0.2737
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.059 0.2559
Schistosoma mansoni carbonic anhydrase 0.0165 0.0776 0.2146
Brugia malayi hypothetical protein 0.0136 0.0631 0.2737
Schistosoma mansoni lozenge 0.0059 0.0252 0.0695
Brugia malayi Calcium binding EGF domain containing protein 0.0044 0.0175 0.0757
Loa Loa (eye worm) hypothetical protein 0.0136 0.0631 0.2737
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0165 0.0776 0.3365
Loa Loa (eye worm) blistered cuticle protein 3 0.0136 0.0631 0.2737
Loa Loa (eye worm) animal heme peroxidase 0.0136 0.0631 0.2737
Loa Loa (eye worm) hypothetical protein 0.0136 0.0631 0.2737
Echinococcus granulosus notch 0.0044 0.0175 0.0483
Echinococcus granulosus fibropellin Ia 0.0044 0.0175 0.0483
Loa Loa (eye worm) hypothetical protein 0.0136 0.0631 0.2737
Echinococcus multilocularis Protein lozenge 0.0059 0.0252 0.0695
Schistosoma mansoni peroxidasin 0.0136 0.0631 0.1745
Echinococcus multilocularis neurogenic locus protein delta 0.0044 0.0175 0.0483

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 100 uM Inhibition of rabbit GSK3 ChEMBL. 16279768
IC50 (binding) = 100 uM Inhibition of rabbit GSK3 ChEMBL. 16279768

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

1 literature reference was collected for this gene.

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