Detailed information for compound 666866

Basic information

Technical information
  • TDR Targets ID: 666866
  • Name: 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-hydroxy-5 -(2-methoxyphenyl)-4-(thiophene-2-carbonyl)-5 H-pyrrol-2-one
  • MW: 426.509 | Formula: C21H18N2O4S2
  • H donors: 1 H acceptors: 4 LogP: 4.7 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C1C(=C(C(=O)N1c1sc(c(n1)C)C)O)C(=O)c1cccs1
  • InChi: 1S/C21H18N2O4S2/c1-11-12(2)29-21(22-11)23-17(13-7-4-5-8-14(13)27-3)16(19(25)20(23)26)18(24)15-9-6-10-28-15/h4-10,17,25H,1-3H3
  • InChiKey: KNRIHXLPQPTOKK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4,5-dimethylthiazol-2-yl)-3-hydroxy-5-(2-methoxyphenyl)-4-(thiophene-2-carbonyl)-5H-pyrrol-2-one
  • 1-(4,5-dimethyl-2-thiazolyl)-3-hydroxy-5-(2-methoxyphenyl)-4-[oxo-(2-thienyl)methyl]-5H-pyrrol-2-one
  • 1-(4,5-dimethylthiazol-2-yl)-3-hydroxy-5-(2-methoxyphenyl)-4-(thiophene-2-carbonyl)-3-pyrrolin-2-one
  • 1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-hydroxy-5-(2-methoxyphenyl)-4-thiophen-2-ylcarbonyl-5H-pyrrol-2-one
  • STOCK3S-55014

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
Schistosoma mansoni ap endonuclease 0.0019 0.0149 0.0149
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.1029 0.1029
Loa Loa (eye worm) cytochrome b 0.0203 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0149 0.0149
Loa Loa (eye worm) RNA binding protein 0.0063 0.2513 0.2513
Leishmania major hypothetical protein, conserved 0.0035 0.0989 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.2513 0.2513
Schistosoma mansoni cytochrome b 0.0203 1 1
Toxoplasma gondii cytochrome b 0.0203 1 1
Plasmodium vivax cytochrome b 0.0203 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1916 0.1916
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0149 0.5
Echinococcus granulosus cytochrome B 0.0203 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0149 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2513 0.2513
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2513 0.2513
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0035 0.0989 0.0852
Schistosoma mansoni ap endonuclease 0.0019 0.0149 0.0149
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1916 0.1916
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1916 0.1916
Brugia malayi Augmenter of liver regeneration 0.0035 0.0989 0.0989
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.2513 0.2513
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0149 0.5
Loa Loa (eye worm) hepatopoietin HPO2 0.0035 0.0989 0.0989
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0203 1 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.2513 0.2513
Toxoplasma gondii apocytochrome b, putative 0.0203 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0149 0.5
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2513 0.2513
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0035 0.0989 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2513 0.2513
Loa Loa (eye worm) hypothetical protein 0.0036 0.1029 0.1029
Schistosoma mansoni hypothetical protein 0.0036 0.1029 0.1029
Loa Loa (eye worm) hypothetical protein 0.0052 0.1916 0.1916
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0035 0.0989 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2513 0.2513
Echinococcus multilocularis tar DNA binding protein 0.0063 0.2513 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0149 0.0149
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0035 0.0989 0.0852
Schistosoma mansoni cytochrome b 0.0203 1 1
Brugia malayi RNA binding protein 0.0063 0.2513 0.2513
Loa Loa (eye worm) TAR-binding protein 0.0063 0.2513 0.2513
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0035 0.0989 0.0989
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0035 0.0989 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0149 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0149 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0149 0.0149
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0149 0.0593
Plasmodium falciparum cytochrome b 0.0203 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0149 0.5
Toxoplasma gondii Erv1 / Alr family protein 0.0035 0.0989 0.0852
Brugia malayi TAR-binding protein 0.0063 0.2513 0.2513
Toxoplasma gondii Erv1 / Alr family protein 0.0035 0.0989 0.0852
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0035 0.0989 1
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0035 0.0989 0.3933

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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