Detailed information for compound 666867

Basic information

Technical information
  • TDR Targets ID: 666867
  • Name: ethyl 2-[(5E)-5-[(3-fluorophenyl)methylidene] -2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
  • MW: 323.339 | Formula: C15H14FNO4S
  • H donors: 0 H acceptors: 3 LogP: 3.17 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C(N1C(=O)S/C(=C/c2cccc(c2)F)/C1=O)C
  • InChi: 1S/C15H14FNO4S/c1-3-21-14(19)9(2)17-13(18)12(22-15(17)20)8-10-5-4-6-11(16)7-10/h4-9H,3H2,1-2H3/b12-8+
  • InChiKey: OIAIOWKCCCABOI-XYOKQWHBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[(5E)-5-[(3-fluorophenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]propanoate
  • 2-[(5E)-5-[(3-fluorophenyl)methylene]-2,4-dioxo-3-thiazolidinyl]propanoic acid ethyl ester
  • 2-[(5E)-5-(3-fluorobenzylidene)-2,4-diketo-thiazolidin-3-yl]propionic acid ethyl ester

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
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0648 0.0906
Entamoeba histolytica hypothetical protein 0.0037 0.0078 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0383 0.0535
Onchocerca volvulus Huntingtin homolog 0.0125 0.3636 0.402
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.3293 0.4602
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0115 0.3236 0.5342
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0474 0.0474
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0383 0.0515
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0648 0.0906
Onchocerca volvulus 0.0242 0.8338 1
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.3293 0.4602
Loa Loa (eye worm) cytochrome b 0.0139 0.4206 0.5879
Brugia malayi mbt repeat family protein 0.0047 0.0474 0.0663
Brugia malayi mbt repeat family protein 0.0047 0.0474 0.0663
Brugia malayi hypothetical protein 0.0125 0.3636 0.5081
Schistosoma mansoni hypothetical protein 0.0037 0.0078 0.0078
Brugia malayi hypothetical protein 0.0037 0.0078 0.0109
Entamoeba histolytica hypothetical protein 0.0037 0.0078 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0383 0.0383
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0474 0.0474
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0078 0.0078
Toxoplasma gondii apocytochrome b, putative 0.0139 0.4206 0.5
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0184 0.599 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0383 0.0383
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.0734 0.0734
Echinococcus granulosus cytochrome B 0.0139 0.4206 0.6984
Toxoplasma gondii cytochrome b 0.0139 0.4206 0.5
Schistosoma mansoni lipoxygenase 0.0115 0.3236 0.3236
Loa Loa (eye worm) MBCTL1 0.0053 0.0734 0.1026
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0383 0.0515
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0474 0.0474
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.0734 0.111
Brugia malayi Pre-SET motif family protein 0.0213 0.7155 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.0734 0.1026
Brugia malayi MH2 domain containing protein 0.0117 0.3293 0.4602
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0474 0.067
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0383 0.0515
Loa Loa (eye worm) hypothetical protein 0.0053 0.0734 0.1026
Entamoeba histolytica hypothetical protein 0.0037 0.0078 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.0648 0.0906
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0184 0.599 1
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0474 0.067
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.0734 0.111
Brugia malayi cytochrome b 0.0139 0.4206 0.5879
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.0734 0.111
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0474 0.067
Schistosoma mansoni cytochrome b 0.0139 0.4206 0.4206
Plasmodium falciparum cytochrome b 0.0139 0.4206 0.5
Schistosoma mansoni cytochrome b 0.0139 0.4206 0.4206
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0383 0.0383
Trichomonas vaginalis set domain proteins, putative 0.0242 0.8338 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0213 0.7155 1
Entamoeba histolytica hypothetical protein 0.0037 0.0078 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0383 0.0515
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0474 0.0663
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.0734 0.111
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0383 0.0535
Onchocerca volvulus Huntingtin homolog 0.0125 0.3636 0.402
Loa Loa (eye worm) hypothetical protein 0.0047 0.0474 0.0663
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0115 0.3236 0.5342
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0139 0.4206 0.5
Loa Loa (eye worm) hypothetical protein 0.0125 0.3636 0.5081
Plasmodium vivax cytochrome b 0.0139 0.4206 0.5
Schistosoma mansoni lipoxygenase 0.0081 0.1841 0.1841
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0474 0.067
Loa Loa (eye worm) hypothetical protein 0.0125 0.3636 0.5081
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0648 0.0906

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.
 
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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