Detailed information for compound 619460

Basic information

Technical information
  • TDR Targets ID: 619460
  • Name: (E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2- yl]-3-[(3-fluoro-4-methylphenyl)amino]prop-2- enenitrile
  • MW: 395.45 | Formula: C21H18FN3O2S
  • H donors: 1 H acceptors: 2 LogP: 5.09 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(=CNc1ccc(c(c1)F)C)c1scc(n1)c1ccc(c(c1)OC)OC
  • InChi: 1S/C21H18FN3O2S/c1-13-4-6-16(9-17(13)22)24-11-15(10-23)21-25-18(12-28-21)14-5-7-19(26-2)20(8-14)27-3/h4-9,11-12,24H,1-3H3/b15-11+
  • InChiKey: BYRCEULAIJJCDC-RVDMUPIBSA-N  

Network

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Synonyms

  • 2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(3-fluoro-4-methylphenyl)amino]prop-2-enenitrile
  • 2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-[(3-fluoro-4-methyl-phenyl)amino]prop-2-enenitrile
  • (E)-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-[(3-fluoro-4-methyl-phenyl)amino]prop-2-enenitrile
  • 2-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-3-[(3-fluoro-4-methylphenyl)amino]prop-2-enenitrile
  • (E)-2-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-3-[(3-fluoro-4-methylphenyl)amino]prop-2-enenitrile
  • 2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-[(3-fluoro-4-methyl-phenyl)amino]acrylonitrile
  • (E)-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-[(3-fluoro-4-methyl-phenyl)amino]acrylonitrile
  • (E)-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(3-fluoro-4-methyl-phenyl)amino]prop-2-enenitrile
  • 2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-[(3-fluoro-4-methyl-phenyl)amino]prop-2-enenitrile
  • ZINC00875546
  • BAS 02590433

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 exodeoxyribonuclease III family protein 0.0019 0.4151 0.3482
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 1 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.1996 0.1996
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.4151 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.4151 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.4151 1
Schistosoma mansoni ap endonuclease 0.0019 0.4151 0.2693
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.1996 0.1996
Loa Loa (eye worm) hypothetical protein 0.0026 0.9646 0.9646
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.1996 0.1996
Echinococcus granulosus intermediate filament protein 0.0027 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.4151 0.5
Echinococcus multilocularis musashi 0.0027 1 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.1996 0.1996
Loa Loa (eye worm) hypothetical protein 0.0027 1 1
Schistosoma mansoni ap endonuclease 0.0019 0.4151 0.2693
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.4151 0.4151
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.4151 1
Schistosoma mansoni intermediate filament proteins 0.0027 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.4151 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.4151 0.5
Onchocerca volvulus 0.0027 1 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.4151 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.4151 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 1 1
Echinococcus granulosus lamin dm0 0.0027 1 1
Loa Loa (eye worm) intermediate filament protein 0.0027 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.4151 0.4151
Echinococcus granulosus lamin 0.0027 1 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.4151 0.5
Schistosoma mansoni lamin 0.0027 1 1
Toxoplasma gondii exonuclease III APE 0.0019 0.4151 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.4151 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.1026 0.1026
Brugia malayi isocitrate dehydrogenase 0.0016 0.1996 0.108
Echinococcus multilocularis lamin 0.0027 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.1996 0.1996
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.4151 0.4151
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.4151 1
Onchocerca volvulus 0.0027 1 0.5
Schistosoma mansoni lamin 0.0027 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.4151 0.5
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.1996 0.1996
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.4151 0.5
Brugia malayi Isocitrate dehydrogenase 0.0016 0.1996 0.108
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.1996 0.1996
Echinococcus multilocularis lamin dm0 0.0027 1 1

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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