Detailed information for compound 1967508

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 495.205 | Formula: C22H11Cl4NO2S
  • H donors: 1 H acceptors: 3 LogP: 7.94 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cc(ccc1c1cccc(c1Cl)Cl)c1scc(n1)c1ccc(c(c1)Cl)Cl
  • InChi: 1S/C22H11Cl4NO2S/c23-16-7-5-11(9-18(16)25)19-10-30-21(27-19)12-4-6-13(15(8-12)22(28)29)14-2-1-3-17(24)20(14)26/h1-10H,(H,28,29)
  • InChiKey: XGCYYHZTKSEMEH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens eukaryotic translation initiation factor 4E Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum eukaryotic translation initiation factor-like protein Get druggable targets OG5_127278 All targets in OG5_127278
Schistosoma japonicum ko:K03259 translation initiation factor eIF-4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Cryptosporidium hominis initiation factor e4 Get druggable targets OG5_127278 All targets in OG5_127278
Leishmania donovani Eukaryotic translation initiation factor 4E-2 Get druggable targets OG5_127278 All targets in OG5_127278
Leishmania mexicana eukaryotic translation initiation factor-like protein Get druggable targets OG5_127278 All targets in OG5_127278
Leishmania braziliensis eukaryotic translation initiation factor eIF-4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Leishmania major eukaryotic translation initiation factor eIF-4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Echinococcus granulosus eukaryotic translation initiation factor 4E Get druggable targets OG5_127278 All targets in OG5_127278
Leishmania major eukaryotic translation initiation factor-like protein Get druggable targets OG5_127278 All targets in OG5_127278
Leishmania mexicana eukaryotic translation initiation factor eIF-4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Toxoplasma gondii eukaryotic initiation factor-4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Loa Loa (eye worm) translation initiation factor 4E Get druggable targets OG5_127278 All targets in OG5_127278
Trypanosoma congolense Eukaryotic translation initiation factor 4E-1 Get druggable targets OG5_127278 All targets in OG5_127278
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 Get druggable targets OG5_127278 All targets in OG5_127278
Schistosoma mansoni eukaryotic translation initiation factor 4e Get druggable targets OG5_127278 All targets in OG5_127278
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Leishmania infantum eukaryotic translation initiation factor eIF-4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Leishmania major eukaryotic translation initiation factor-like Get druggable targets OG5_127278 All targets in OG5_127278
Candida albicans mRNA cap-binding protein eIF4E, translation initiation Get druggable targets OG5_127278 All targets in OG5_127278
Brugia malayi translation initiation factor 4E Get druggable targets OG5_127278 All targets in OG5_127278
Theileria parva translation initiation factor E4, putative Get druggable targets OG5_127278 All targets in OG5_127278
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 Get druggable targets OG5_127278 All targets in OG5_127278
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Leishmania donovani Eukaryotic translation initiation factor 4E-1 Get druggable targets OG5_127278 All targets in OG5_127278
Neospora caninum hypothetical protein Get druggable targets OG5_127278 All targets in OG5_127278
Echinococcus multilocularis eukaryotic translation initiation factor 4E Get druggable targets OG5_127278 All targets in OG5_127278
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 Get druggable targets OG5_127278 All targets in OG5_127278
Trypanosoma brucei gambiense eukaryotic translation initiation factor 4e, putative Get druggable targets OG5_127278 All targets in OG5_127278
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative Get druggable targets OG5_127278 All targets in OG5_127278
Cryptosporidium parvum translation initiation factor if-4E Get druggable targets OG5_127278 All targets in OG5_127278
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi eukaryotic translation initiation factor 4E-1 eukaryotic translation initiation factor 4E 237 aa 190 aa 44.2 %
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-41 0.001 0.1269 0.1269
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.1269 0.1269
Brugia malayi ecdysteroid receptor 0.001 0.1269 0.1269
Onchocerca volvulus 0.001 0.1269 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0042 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.1269 0.1269
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0042 1 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.1269 0.1269
Loa Loa (eye worm) translation initiation factor 4E 0.0042 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.1269 0.1269
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.1269 0.1269
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0042 1 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.1269 0.1269
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.1269 0.1269
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.1269 0.1269
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.1269 0.1269
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.1269 0.1269
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.1269 0.1269
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.1269 0.1269
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0042 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.1269 0.1269
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.1269 0.1269
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.1269 0.1269
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.1269 0.1269
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.1269 0.1269
Brugia malayi steroid hormone receptor 0.001 0.1269 0.1269
Brugia malayi nuclear receptor NHR-88 0.001 0.1269 0.1269
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.1269 0.1269
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0042 1 0.5
Echinococcus granulosus FTZ F1 alpha 0.001 0.1269 0.1269
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.1269 0.1269
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.1269 0.1269
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.1269 0.1269
Schistosoma mansoni thyroid hormone receptor 0.001 0.1269 0.1269
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.1269 0.1269
Echinococcus multilocularis FTZ F1 alpha 0.001 0.1269 0.1269
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.1269 0.1269
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.1269 0.1269
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.1269 0.1269
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0042 1 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.1269 0.1269
Loa Loa (eye worm) hypothetical protein 0.001 0.1269 0.1269
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.1269 0.1269
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0042 1 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0042 1 0.5
Schistosoma mansoni coup transcription factor 0.001 0.1269 0.1269
Loa Loa (eye worm) hypothetical protein 0.001 0.1269 0.1269
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.1269 0.1269
Brugia malayi Steroid receptor seven-up type 2 0.001 0.1269 0.1269
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.1269 0.1269
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.1269 0.1269
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.1269 0.1269
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.1269 0.1269
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.1269 0.1269
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.1269 0.1269
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0042 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.1269 0.1269
Loa Loa (eye worm) hypothetical protein 0.001 0.1269 0.1269
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.1269 0.5
Leishmania major eukaryotic translation initiation factor-like 0.0042 1 0.5
Schistosoma mansoni thyroid hormone receptor 0.001 0.1269 0.1269
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0042 1 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.1269 0.1269
Brugia malayi nuclear hormone receptor 0.001 0.1269 0.1269
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.1269 0.1269
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.1269 0.1269
Leishmania major eukaryotic translation initiation factor-like protein 0.0042 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.1269 0.1269
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.1269 0.1269
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.1269 0.1269
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.1269 0.1269
Schistosoma mansoni nuclear hormone receptor 0.001 0.1269 0.1269
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.1269 0.1269
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.1269 0.1269
Loa Loa (eye worm) hypothetical protein 0.001 0.1269 0.1269
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.1269 0.1269
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0042 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.1269 0.5
Onchocerca volvulus Bile acid receptor homolog 0.001 0.1269 0.5
Loa Loa (eye worm) steroid hormone receptor 0.001 0.1269 0.1269
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0042 1 0.5
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0042 1 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.1269 0.1269
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0042 1 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.1269 0.1269
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.1269 0.1269
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.1269 0.1269
Loa Loa (eye worm) hypothetical protein 0.001 0.1269 0.1269

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2100 nM BindingDB_Patents: Binding Assay. Human eIF4E (aa 28-217) with a C-terminal His tag (HH-eIF4E) was expressed in E. coli in inclusion bodies. The protein was solubilized with 8 M urea and purified under denaturing conditions using nickel-charged HisTrap HP columns (GE Healthcare). The protein was refolded by diluting to approximately 0.25 mg/mL with 6 M urea, 20 mM Hepes pH 7.0, 500 mM NaCl, 1 mM DTT, 1 mM EDTA, and 0.5 M arginine»HCl, and then dialyzing overnight into the same buffer without the urea. The protein was further dialyzed into 20 mM Hepes pH 6.5, 50 mM NaCl, 1 mM EDTA, and 1 mM DTT, filtered, and then concentrated using Hitrap SP sepharose FF columns (GE Healthcare). The protein was dialyzed into 20 mM Hepes pH 7.0, 500 mM NaCl, 5 mM DTT, and 10% glycerol and stored at -80 °C until use. Test compounds (1.6 mM stock in DMSO) were diluted 3 fold in series in DMSO. Compound solutions were diluted 4 fold in Assay Buffer (50 mM sodium phosphate, pH 6.5, 50 mM KC1, 1 mM DTT and 0.5 mg/mL gammaglobulin). 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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