Detailed information for compound 611539

Basic information

Technical information
  • TDR Targets ID: 611539
  • Name: ethyl 3-[[2-(trifluoromethyl)benzoyl]amino]-1 -benzofuran-2-carboxylate
  • MW: 377.314 | Formula: C19H14F3NO4
  • H donors: 1 H acceptors: 2 LogP: 5.15 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1oc2c(c1NC(=O)c1ccccc1C(F)(F)F)cccc2
  • InChi: 1S/C19H14F3NO4/c1-2-26-18(25)16-15(12-8-4-6-10-14(12)27-16)23-17(24)11-7-3-5-9-13(11)19(20,21)22/h3-10H,2H2,1H3,(H,23,24)
  • InChiKey: UIEARYLCMCNOEP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 3-[[2-(trifluoromethyl)benzoyl]amino]benzofuran-2-carboxylate
  • 3-[[oxo-[2-(trifluoromethyl)phenyl]methyl]amino]-2-benzofurancarboxylic acid ethyl ester
  • 3-[[2-(trifluoromethyl)benzoyl]amino]benzofuran-2-carboxylic acid ethyl ester
  • ethyl 3-[[2-(trifluoromethyl)phenyl]carbonylamino]-1-benzofuran-2-carboxylate
  • ZINC04162620

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 mixed-lineage leukemia protein mll 0.006 0.1403 0.1403
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.01 0.2436 0.2379
Schistosoma mansoni coup transcription factor 0.002 0.0402 0.0402
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0402 0.033
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0402 0.1236
Echinococcus granulosus Nuclear hormone receptor HR96 0.0009 0.0136 0.0062
Schistosoma mansoni zinc finger protein 0.0009 0.0136 0.0136
Schistosoma mansoni hypothetical protein 0.04 1 1
Brugia malayi ecdysteroid receptor 0.002 0.0402 0.1236
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0059 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.0164 0.009
Brugia malayi hypothetical protein 0.0071 0.1683 0.6756
Brugia malayi orphan nuclear receptor NR2E1 0.0009 0.0136 0.009
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0402 0.033
Loa Loa (eye worm) nuclear receptor NHR-67 0.0009 0.0136 0.0078
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0402 0.033
Loa Loa (eye worm) hypothetical protein 0.0009 0.0136 0.0078
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0402 0.1236
Brugia malayi steroid hormone receptor 0.002 0.0402 0.1236
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.1683 0.1683
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0059 0.5
Echinococcus granulosus cpg binding protein 0.003 0.0648 0.0578
Echinococcus multilocularis cpg binding protein 0.003 0.0648 0.0578
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0059 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.0136 0.0078
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0402 0.1225
Echinococcus granulosus nuclear receptor nhr 48 0.0009 0.0136 0.0062
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0402 0.033
Schistosoma mansoni hypothetical protein 0.0071 0.1683 0.1683
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0009 0.0136 0.0062
Schistosoma mansoni nuclear receptor 0.0009 0.0136 0.0136
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.1242 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0402 0.1225
Loa Loa (eye worm) hypothetical protein 0.0009 0.0136 0.0078
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0164 0.0212
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0402 0.1236
Brugia malayi Nuclear hormone receptor family member nhr-25 0.01 0.2436 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0402 0.1225
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0402 0.033
Onchocerca volvulus Bile acid receptor homolog 0.002 0.0402 0.5636
Loa Loa (eye worm) hypothetical protein 0.0011 0.0164 0.0201
Loa Loa (eye worm) hypothetical protein 0.002 0.0402 0.1225
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0402 0.033
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.0164 0.0201
Brugia malayi nuclear hormone receptor 0.002 0.0402 0.1236
Loa Loa (eye worm) hypothetical protein 0.002 0.0402 0.1225
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0402 0.1236
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0402 0.033
Brugia malayi Nuclear hormone receptor family member nhr-25 0.01 0.2436 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0402 0.1225
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.01 0.2436 0.2436
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0402 0.1236
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0402 0.1225
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0402 0.0402
Echinococcus multilocularis FTZ F1 alpha 0.01 0.2436 0.2379
Brugia malayi Nuclear hormone receptor E75 0.0009 0.0136 0.009
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0136 0.0062
Echinococcus granulosus Nuclear hormone receptor HR96 0.0009 0.0136 0.0062
Onchocerca volvulus 0.0028 0.0608 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0136 0.0078
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Loa Loa (eye worm) hypothetical protein 0.0009 0.0136 0.0078
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0402 0.033
Brugia malayi nuclear receptor RXR 0.0011 0.0164 0.0212
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0009 0.0136 0.0062
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0059 0.5
Brugia malayi hypothetical protein 0.0011 0.0164 0.0212
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0402 0.033
Loa Loa (eye worm) hypothetical protein 0.002 0.0402 0.1225
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0059 0.5
Loa Loa (eye worm) DR-78 0.0009 0.0136 0.0078
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0011 0.0164 0.0201
Loa Loa (eye worm) hypothetical protein 0.002 0.0402 0.1225
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0402 0.1225
Loa Loa (eye worm) hypothetical protein 0.0009 0.0136 0.0078
Brugia malayi nuclear receptor NHR-88 0.0009 0.0136 0.009
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0402 0.1236
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0402 0.033
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0402 0.033
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0059 0.5
Brugia malayi conserved hypotetical protein 0.0009 0.0136 0.009
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0164 0.0164
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0402 0.1236
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0009 0.0136 0.0136
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.0164 0.009
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0402 0.1236
Brugia malayi CXXC zinc finger family protein 0.0028 0.0608 0.2123
Schistosoma mansoni hypothetical protein 0.0081 0.1932 0.1932
Schistosoma mansoni cpg binding protein 0.003 0.0648 0.0648
Loa Loa (eye worm) hypothetical protein 0.0009 0.0136 0.0078
Schistosoma mansoni cpg binding protein 0.003 0.0648 0.0648
Onchocerca volvulus 0.002 0.0402 0.5636
Loa Loa (eye worm) hypothetical protein 0.01 0.2436 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0402 0.0402
Schistosoma mansoni nuclear receptor 0.0009 0.0136 0.0136
Loa Loa (eye worm) hypothetical protein 0.002 0.0402 0.1225
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0402 0.033
Loa Loa (eye worm) hypothetical protein 0.0009 0.0136 0.0078
Entamoeba histolytica hypothetical protein 0.0071 0.1683 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0059 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0164 0.0201
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0402 0.033
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0009 0.0136 0.0062
Schistosoma mansoni thyroid hormone receptor 0.002 0.0402 0.0402
Loa Loa (eye worm) hypothetical protein 0.0009 0.0136 0.0078
Loa Loa (eye worm) hypothetical protein 0.0009 0.0136 0.0078
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0402 0.0402
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0402 0.0402
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.1683 0.162
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.01 0.2436 0.2379
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0136 0.0136
Brugia malayi nuclear hormone receptor family member odr-7 0.0009 0.0136 0.009
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0402 0.0402
Entamoeba histolytica hypothetical protein 0.0071 0.1683 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0402 0.1225
Brugia malayi tailless protein 0.0009 0.0136 0.009
Schistosoma mansoni cpg binding protein 0.0028 0.0608 0.0608
Brugia malayi ecdysone receptor 0.0009 0.0136 0.009
Brugia malayi nuclear receptor NHR-67 0.0009 0.0136 0.009
Echinococcus multilocularis nuclear receptor nhr 48 0.0009 0.0136 0.0062
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0118 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0402 0.1236
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0009 0.0136 0.0062
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0402 0.1225
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0402 0.1236
Schistosoma mansoni nuclear hormone receptor 0.002 0.0402 0.0402
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0059 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0059 0.5
Entamoeba histolytica hypothetical protein 0.0071 0.1683 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0059 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0059 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0402 0.1225
Loa Loa (eye worm) nuclear hormone receptor 0.0009 0.0136 0.0078
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0059 0.5
Brugia malayi nuclear receptor NHR-88 0.002 0.0402 0.1236
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0059 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0402 0.1236
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0009 0.0136 0.0062
Echinococcus granulosus FTZ F1 alpha 0.0399 0.9979 0.9979
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0059 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0164 0.0201
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0164 0.0212
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0402 0.0402
Loa Loa (eye worm) hypothetical protein 0.0011 0.0164 0.0201
Trichomonas vaginalis helicase, putative 0.0006 0.0059 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0608 0.2113
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.0402 0.5636
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0402 0.1236
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0402 0.0402
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0059 0.5
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0136 0.0136
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0059 0.5
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0009 0.0136 0.0078
Echinococcus granulosus thyroid hormone receptor alpha 0.0009 0.0136 0.0062
Brugia malayi hypothetical protein 0.0009 0.0136 0.009
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0402 0.1236
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0402 0.1236
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.0402 0.5636
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0009 0.0136 0.009
Brugia malayi nuclear hormone receptor 0.0009 0.0136 0.009
Brugia malayi Nuclear hormone receptor E75 0.0009 0.0136 0.009
Entamoeba histolytica hypothetical protein 0.0071 0.1683 0.5
Schistosoma mansoni nuclear receptor nhr-48 0.0009 0.0136 0.0136
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.0164 0.0164
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0402 0.0402
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0009 0.0136 0.0136
Brugia malayi nuclear receptor RXR 0.0009 0.0136 0.009
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0059 0.5
Schistosoma mansoni thyroid hormone receptor 0.002 0.0402 0.0402
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0136 0.0062
Loa Loa (eye worm) hypothetical protein 0.0009 0.0136 0.0078
Brugia malayi hypothetical protein 0.0011 0.0164 0.0212
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0402 0.1225
Loa Loa (eye worm) hypothetical protein 0.0009 0.0136 0.0078
Brugia malayi nuclear hormone receptor family member nhr-6 0.0009 0.0136 0.009
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.1683 0.162
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0402 0.033
Loa Loa (eye worm) hypothetical protein 0.0009 0.0136 0.0078
Brugia malayi hypothetical protein 0.0009 0.0136 0.009
Echinococcus multilocularis dnaJ subfamily B 0.04 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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