Detailed information for compound 1916935

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 495.359 | Formula: C19H12Cl2N4O4S2
  • H donors: 2 H acceptors: 5 LogP: 6.2 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)/C(=N\Nc1sc2c(n1)c1cc(Cl)c(cc1SC2)Cl)/Cc1ccccc1[N+](=O)[O-]
  • InChi: 1S/C19H12Cl2N4O4S2/c20-11-6-10-15(7-12(11)21)30-8-16-17(10)22-19(31-16)24-23-13(18(26)27)5-9-3-1-2-4-14(9)25(28)29/h1-4,6-7H,5,8H2,(H,22,24)(H,26,27)/b23-13-
  • InChiKey: PVJPULCRKCDKPZ-QRVIBDJDSA-N  

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 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Leishmania major eukaryotic translation initiation factor-like 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
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
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-like protein 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
Cryptosporidium hominis initiation factor e4 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
Leishmania infantum eukaryotic translation initiation factor-like protein 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 braziliensis eukaryotic translation initiation factor eIF-4E, putative 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
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
Trypanosoma brucei gambiense eukaryotic translation initiation factor 4e, 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
Echinococcus multilocularis eukaryotic translation initiation factor 4E 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
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 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
Entamoeba histolytica eukaryotic translation initiation factor 4E, 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
Theileria parva translation initiation factor E4, 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 eIF-4E, putative 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
Schistosoma mansoni eukaryotic translation initiation factor 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
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0042 0.5 0.5
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.0042 0.5 0.5
Loa Loa (eye worm) translation initiation factor 4E 0.0042 0.5 0.5
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.0042 0.5 0.5
Leishmania major eukaryotic translation initiation factor-like protein 0.0042 0.5 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0042 0.5 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0042 0.5 0.5
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0042 0.5 0.5
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.0042 0.5 0.5
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.0042 0.5 0.5
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.0042 0.5 0.5
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0042 0.5 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0042 0.5 0.5
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.0042 0.5 0.5
Leishmania major eukaryotic translation initiation factor-like 0.0042 0.5 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0042 0.5 0.5
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.0042 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 14 uM Displacement of N-alpha-fluorescein tagged eIF4G-derived peptide from GST-DN26-eIF4E (unknown origin) by fluorescence polarization assay ChEMBL. 24827861

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

1 literature reference was collected for this gene.

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