Detailed information for compound 680030

Basic information

Technical information
  • TDR Targets ID: 680030
  • Name: ethyl 2-[[(Z)-2-cyano-2-[4-(4-methylphenyl)-1 ,3-thiazol-2-yl]ethenyl]amino]benzoate
  • MW: 389.47 | Formula: C22H19N3O2S
  • H donors: 1 H acceptors: 3 LogP: 5.26 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccccc1NC=C(c1scc(n1)c1ccc(cc1)C)C#N
  • InChi: 1S/C22H19N3O2S/c1-3-27-22(26)18-6-4-5-7-19(18)24-13-17(12-23)21-25-20(14-28-21)16-10-8-15(2)9-11-16/h4-11,13-14,24H,3H2,1-2H3/b17-13-
  • InChiKey: IBYJXACYUXCJGI-LGMDPLHJSA-N  

Network

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Synonyms

  • ethyl 2-[[(Z)-2-cyano-2-[4-(4-methylphenyl)thiazol-2-yl]vinyl]amino]benzoate
  • 2-[[(Z)-2-cyano-2-[4-(4-methylphenyl)-2-thiazolyl]vinyl]amino]benzoic acid ethyl ester
  • 2-[[(Z)-2-cyano-2-[4-(4-methylphenyl)thiazol-2-yl]vinyl]amino]benzoic acid ethyl ester
  • ZINC01176959

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 0.0041 0.0548 0.5
Trichomonas vaginalis ap endonuclease, putative 0.002 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0548 0.1008
Schistosoma mansoni choline o-acyltransferase 0.0041 0.0548 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0 0.5
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0041 0.0548 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.016 0.0294
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0548 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.016 0.2914
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.0041 0.0548 0.1008
Loa Loa (eye worm) choline O-acetyltransferase 0.0041 0.0548 0.0548
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0548 0.0548
Onchocerca volvulus 0.0041 0.0548 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0 0.5
Brugia malayi Choline O-acetyltransferase 0.0041 0.0548 0.0548
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0041 0.0548 0.1008
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0041 0.0548 0.0548
Loa Loa (eye worm) hypothetical protein 0.0026 0.016 0.016
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0548 0.1008
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0041 0.0548 0.1008
Echinococcus granulosus choline O acetyltransferase 0.0041 0.0548 0.1008
Loa Loa (eye worm) hypothetical protein 0.0392 1 1
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0041 0.0548 0.1008
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0548 0.1008
Leishmania major carnitine/choline acetyltransferase, putative 0.0041 0.0548 0.1008
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.0041 0.0548 0.1008
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.0041 0.0548 1
Brugia malayi Choline O-acetyltransferase 0.0041 0.0548 0.0548
Schistosoma mansoni choline o-acyltransferase 0.0041 0.0548 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0041 0.0548 0.1008
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0222 0.5441 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0548 0.1008
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0548 0.1008
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0222 0.5441 1
Leishmania major carnitine palmitoyltransferase-like protein 0.0041 0.0548 0.1008
Trichomonas vaginalis ap endonuclease, putative 0.002 0 0.5
Onchocerca volvulus 0.0041 0.0548 0.5
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.0041 0.0548 1
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0222 0.5441 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.016 1
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.0041 0.0548 1
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0041 0.0548 0.0548
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.016 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0041 0.0548 0.0548
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.0041 0.0548 0.1008
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0 0.5
Leishmania major hypothetical protein, conserved 0.0026 0.016 0.0294
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.016 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.016 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.016 0.0294
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0222 0.5441 1
Echinococcus multilocularis choline O acetyltransferase 0.0041 0.0548 0.1008
Onchocerca volvulus 0.0041 0.0548 0.5
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0041 0.0548 0.0548
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.0041 0.0548 0.1008
Brugia malayi hypothetical protein 0.0026 0.016 0.016
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0222 0.5441 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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