Detailed information for compound 371252

Basic information

Technical information
  • TDR Targets ID: 371252
  • Name: 4-(3,5-dibromo-4-hydroxyphenyl)sulfonylbenzoi c acid
  • MW: 436.073 | Formula: C13H8Br2O5S
  • H donors: 2 H acceptors: 5 LogP: 3.27 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1ccc(cc1)S(=O)(=O)c1cc(Br)c(c(c1)Br)O
  • InChi: 1S/C13H8Br2O5S/c14-10-5-9(6-11(15)12(10)16)21(19,20)8-3-1-7(2-4-8)13(17)18/h1-6,16H,(H,17,18)
  • InChiKey: PWOOQGJCRRKDBU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(3,5-dibromo-4-hydroxy-phenyl)sulfonylbenzoic acid
  • Oprea1_000017
  • Oprea1_137273
  • CBDivE_003589

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
SARS coronavirus SARS coronavirus 3C-like proteinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense Macro domain containing protein, putative Get druggable targets OG5_127054 All targets in OG5_127054
Trypanosoma cruzi Macro domain containing protein, putative Get druggable targets OG5_127054 All targets in OG5_127054
Echinococcus multilocularis MACRO domain containing protein 2 Get druggable targets OG5_127054 All targets in OG5_127054
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127054 All targets in OG5_127054
Echinococcus granulosus MACRO domain containing protein 2 Get druggable targets OG5_127054 All targets in OG5_127054
Giardia lamblia Protein LRP16 Get druggable targets OG5_127054 All targets in OG5_127054
Plasmodium yoelii ATPase associated with chromosome architecture/replication Get druggable targets OG5_127054 All targets in OG5_127054
Brugia malayi Appr-1-p processing enzyme family protein Get druggable targets OG5_127054 All targets in OG5_127054
Echinococcus multilocularis MACRO domain containing protein 2 Get druggable targets OG5_127054 All targets in OG5_127054
Toxoplasma gondii macro domain-containing protein Get druggable targets OG5_127054 All targets in OG5_127054
Candida albicans potential Appr-1-p processing enzyme family member Get druggable targets OG5_127054 All targets in OG5_127054
Mycobacterium ulcerans lipoprotein LppD Get druggable targets OG5_127054 All targets in OG5_127054
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127054 All targets in OG5_127054
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127054 All targets in OG5_127054
Entamoeba histolytica hypothetical protein, conserved Get druggable targets OG5_127054 All targets in OG5_127054
Trypanosoma congolense Macro domain containing protein, putative Get druggable targets OG5_127054 All targets in OG5_127054
Trypanosoma cruzi Macro domain containing protein, putative Get druggable targets OG5_127054 All targets in OG5_127054
Plasmodium vivax hypothetical protein, conserved Get druggable targets OG5_127054 All targets in OG5_127054
Trypanosoma brucei Macro domain containing protein, putative Get druggable targets OG5_127054 All targets in OG5_127054
Neospora caninum hypothetical protein Get druggable targets OG5_127054 All targets in OG5_127054
Plasmodium falciparum Appr-1-p processing domain protein Get druggable targets OG5_127054 All targets in OG5_127054
Trichomonas vaginalis ganglioside induced differentiation associated protein, putative Get druggable targets OG5_127054 All targets in OG5_127054
Echinococcus granulosus MACRO domain containing protein 2 Get druggable targets OG5_127054 All targets in OG5_127054
Plasmodium berghei Appr-1-p processing domain protein Get druggable targets OG5_127054 All targets in OG5_127054
Trichomonas vaginalis ganglioside induced differentiation associated protein, putative Get druggable targets OG5_127054 All targets in OG5_127054
Trichomonas vaginalis ganglioside induced differentiation associated protein, putative Get druggable targets OG5_127054 All targets in OG5_127054
Entamoeba histolytica hypothetical protein, conserved Get druggable targets OG5_127054 All targets in OG5_127054
Entamoeba histolytica hypothetical protein, conserved Get druggable targets OG5_127054 All targets in OG5_127054
Plasmodium knowlesi Appr-1-p processing domain protein Get druggable targets OG5_127054 All targets in OG5_127054
Candida albicans potential Appr-1-p processing enzyme family member Get druggable targets OG5_127054 All targets in OG5_127054
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127054 All targets in OG5_127054
Mycobacterium tuberculosis Possible lipoprotein LppD Get druggable targets OG5_127054 All targets in OG5_127054
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
Trichomonas vaginalis ganglioside induced differentiation associated protein, putative 0.0017 0.5 0.5
Giardia lamblia Protein LRP16 0.0017 0.5 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0017 0.5 0.5
Schistosoma mansoni hypothetical protein 0.0017 0.5 0.5
Plasmodium falciparum Appr-1-p processing domain protein 0.0017 0.5 0.5
Schistosoma mansoni hypothetical protein 0.0017 0.5 0.5
Trichomonas vaginalis ganglioside induced differentiation associated protein, putative 0.0017 0.5 0.5
Trypanosoma cruzi Macro domain containing protein, putative 0.0017 0.5 0.5
Toxoplasma gondii macro domain-containing protein 0.0017 0.5 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0017 0.5 0.5
Trichomonas vaginalis ganglioside induced differentiation associated protein, putative 0.0017 0.5 0.5
Trypanosoma cruzi Macro domain containing protein, putative 0.0017 0.5 0.5
Trypanosoma brucei Macro domain containing protein, putative 0.0017 0.5 0.5
Echinococcus granulosus MACRO domain containing protein 2 0.0017 0.5 0.5
Echinococcus multilocularis MACRO domain containing protein 2 0.0017 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.5 0.5
Echinococcus multilocularis MACRO domain containing protein 2 0.0017 0.5 0.5
Mycobacterium ulcerans lipoprotein LppD 0.0017 0.5 0.5
Plasmodium vivax hypothetical protein, conserved 0.0017 0.5 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0017 0.5 0.5
Echinococcus granulosus MACRO domain containing protein 2 0.0017 0.5 0.5
Mycobacterium tuberculosis Possible lipoprotein LppD 0.0017 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 16 uM Inhibition of SARS coronavirus main protease ChEMBL. 16913704
IC50 (binding) = 16 uM Inhibition of SARS coronavirus main protease ChEMBL. 16913704

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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