Detailed information for compound 1298874

Basic information

Technical information
  • TDR Targets ID: 1298874
  • Name: ethyl 2-methyl-5-(phenoxycarbonyl-phenylsulfo nylamino)-1-benzofuran-3-carboxylate
  • MW: 479.502 | Formula: C25H21NO7S
  • H donors: 0 H acceptors: 4 LogP: 5.39 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(C)oc2c1cc(cc2)N(S(=O)(=O)c1ccccc1)C(=O)Oc1ccccc1
  • InChi: 1S/C25H21NO7S/c1-3-31-24(27)23-17(2)32-22-15-14-18(16-21(22)23)26(25(28)33-19-10-6-4-7-11-19)34(29,30)20-12-8-5-9-13-20/h4-16H,3H2,1-2H3
  • InChiKey: VFZQNBOZXHVIPN-UHFFFAOYSA-N  

Network

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Synonyms

  • ethyl 2-methyl-5-(phenoxycarbonyl-phenylsulfonyl-amino)benzofuran-3-carboxylate
  • 2-methyl-5-[[oxo-(phenoxy)methyl]-phenylsulfonylamino]-3-benzofurancarboxylic acid ethyl ester
  • 2-methyl-5-(phenoxycarbonyl-phenylsulfonyl-amino)benzofuran-3-carboxylic acid ethyl ester
  • ethyl 2-methyl-5-(phenoxycarbonyl-phenylsulfonyl-amino)-1-benzofuran-3-carboxylate
  • Oprea1_175778
  • ST5403700
  • Oprea1_086427
  • NCGC00098904-01

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
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 1 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.001 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 1 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.001 1 1
Onchocerca volvulus 0.001 1 0.5
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0 0.5
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 1 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 1 0.5
Onchocerca volvulus Bile acid receptor homolog 0.001 1 0.5
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0 0.5
Brugia malayi nuclear hormone receptor 0.001 1 0.5
Loa Loa (eye worm) hypothetical protein 0.001 1 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 1 1
Treponema pallidum bacterioferrin (TpF1) 0.0009 0 0.5
Brugia malayi nuclear receptor NHR-88 0.001 1 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 1 1
Brugia malayi Steroid receptor seven-up type 2 0.001 1 0.5
Echinococcus granulosus FTZ F1 alpha 0.001 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 1 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 1 1
Loa Loa (eye worm) hypothetical protein 0.001 1 0.5
Loa Loa (eye worm) hypothetical protein 0.001 1 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 1 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 1 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 1 0.5
Echinococcus multilocularis FTZ F1 alpha 0.001 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 1 1
Loa Loa (eye worm) hypothetical protein 0.001 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 1 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 1 1
Loa Loa (eye worm) steroid hormone receptor 0.001 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 1 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.001 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 1 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 1 0.5
Schistosoma mansoni coup transcription factor 0.001 1 1
Loa Loa (eye worm) hypothetical protein 0.001 1 0.5
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0009 0 0.5
Trichomonas vaginalis ferritin, putative 0.0009 0 0.5
Loa Loa (eye worm) hypothetical protein 0.001 1 0.5
Loa Loa (eye worm) hypothetical protein 0.001 1 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.001 1 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 1 1
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.001 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 1 0.5
Brugia malayi steroid hormone receptor 0.001 1 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 1 0.5
Loa Loa (eye worm) hypothetical protein 0.001 1 0.5
Schistosoma mansoni thyroid hormone receptor 0.001 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.001 1 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 1 1
Schistosoma mansoni thyroid hormone receptor 0.001 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 1 0.5
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.001 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 1 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.001 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 1 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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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