Detailed information for compound 621453

Basic information

Technical information
  • TDR Targets ID: 621453
  • Name: [4-[2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol -2-yl]ethenyl]-2,6-dimethoxyphenyl] acetate
  • MW: 424.445 | Formula: C22H17FN2O4S
  • H donors: 0 H acceptors: 3 LogP: 4.23 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(=Cc1cc(OC)c(c(c1)OC)OC(=O)C)c1scc(n1)c1ccc(cc1)F
  • InChi: 1S/C22H17FN2O4S/c1-13(26)29-21-19(27-2)9-14(10-20(21)28-3)8-16(11-24)22-25-18(12-30-22)15-4-6-17(23)7-5-15/h4-10,12H,1-3H3/b16-8+
  • InChiKey: PULOROKBIFBQTP-LZYBPNLTSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [4-[(E)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-2,6-dimethoxyphenyl] acetate
  • [4-[2-cyano-2-[4-(4-fluorophenyl)thiazol-2-yl]vinyl]-2,6-dimethoxy-phenyl] acetate
  • [4-[(E)-2-cyano-2-[4-(4-fluorophenyl)thiazol-2-yl]vinyl]-2,6-dimethoxy-phenyl] acetate
  • acetic acid [4-[(E)-2-cyano-2-[4-(4-fluorophenyl)-2-thiazolyl]vinyl]-2,6-dimethoxyphenyl] ester
  • acetic acid [4-[2-cyano-2-[4-(4-fluorophenyl)-2-thiazolyl]vinyl]-2,6-dimethoxyphenyl] ester
  • acetic acid [4-[(E)-2-cyano-2-[4-(4-fluorophenyl)thiazol-2-yl]vinyl]-2,6-dimethoxy-phenyl] ester
  • acetic acid [4-[2-cyano-2-[4-(4-fluorophenyl)thiazol-2-yl]vinyl]-2,6-dimethoxy-phenyl] ester
  • [4-[(E)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-2,6-dimethoxy-phenyl] ethanoate
  • [4-[2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]-2,6-dimethoxy-phenyl] 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
Onchocerca volvulus 0.0026 0.1156 0.5
Brugia malayi RNA binding protein 0.0062 0.4563 0.4563
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.1156 0.1156
Echinococcus granulosus lamin dm0 0.0026 0.1156 0.0966
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4563 1
Schistosoma mansoni intermediate filament proteins 0.0026 0.1156 0.0966
Loa Loa (eye worm) TAR-binding protein 0.0062 0.4563 0.4563
Echinococcus granulosus intermediate filament protein 0.0026 0.1156 0.0966
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.4563 0.4563
Loa Loa (eye worm) hypothetical protein 0.005 0.3405 0.3405
Leishmania major hypothetical protein, conserved 0.005 0.3405 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4563 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4563 1
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.3405 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0119 1 1
Echinococcus granulosus tar DNA binding protein 0.0062 0.4563 1
Echinococcus granulosus lamin 0.0026 0.1156 0.0966
Brugia malayi TAR-binding protein 0.0062 0.4563 0.4563
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.3405 0.5
Onchocerca volvulus 0.0026 0.1156 0.5
Loa Loa (eye worm) intermediate filament protein 0.0026 0.1156 0.1156
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 1 1
Echinococcus multilocularis lamin 0.0026 0.1156 0.0966
Schistosoma mansoni lamin 0.0026 0.1156 0.0966
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4563 1
Schistosoma mansoni lamin 0.0026 0.1156 0.0966
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.3405 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.3405 0.5
Brugia malayi hypothetical protein 0.0032 0.1726 0.1726
Echinococcus multilocularis tar DNA binding protein 0.0062 0.4563 1
Echinococcus multilocularis musashi 0.0026 0.1156 0.0966
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4563 1
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.3405 0.5
Brugia malayi intermediate filament protein 0.0026 0.1156 0.1156
Loa Loa (eye worm) hypothetical protein 0.0026 0.1156 0.1156
Loa Loa (eye worm) hypothetical protein 0.0026 0.1111 0.1111
Loa Loa (eye worm) RNA binding protein 0.0062 0.4563 0.4563
Brugia malayi hypothetical protein 0.005 0.3405 0.3405
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.4563 0.4563
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.3405 0.5
Echinococcus multilocularis lamin dm0 0.0026 0.1156 0.0966
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.1156 0.1156
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.3405 0.5

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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