Detailed information for compound 769704

Basic information

Technical information
  • TDR Targets ID: 769704
  • Name: ZINC01150927
  • MW: 489.382 | Formula: C22H21BrN2O4S
  • H donors: 1 H acceptors: 3 LogP: 4.56 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)S(=O)(=O)N(c1ccc(cc1)C)CC(=O)Nc1ccc(cc1)Br
  • InChi: 1S/C22H21BrN2O4S/c1-16-3-9-19(10-4-16)25(15-22(26)24-18-7-5-17(23)6-8-18)30(27,28)21-13-11-20(29-2)12-14-21/h3-14H,15H2,1-2H3,(H,24,26)
  • InChiKey: WZGUETSYYHCWMY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0322 0.0322
Onchocerca volvulus 0.0048 0.0151 1
Brugia malayi mbt repeat family protein 0.0048 0.0151 0.0528
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0187 0.378 0.378
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.002 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0144 0.2667 0.2667
Loa Loa (eye worm) hypothetical protein 0.0385 0.8918 0.8918
Trypanosoma cruzi GUP1, putative 0.0042 0 0.5
Entamoeba histolytica hypothetical protein 0.0152 0.2867 1
Leishmania major glycerol uptake protein, putative 0.0042 0 0.5
Entamoeba histolytica hypothetical protein 0.0152 0.2867 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.002 1
Leishmania major hypothetical protein, conserved 0.0042 0 0.5
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0048 0.0151 1
Schistosoma mansoni hypothetical protein 0.0152 0.2867 0.2867
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0151 0.0151
Trypanosoma cruzi glycerol uptake protein, putative 0.0042 0 0.5
Leishmania major glycerol uptake protein, putative 0.0042 0 0.5
Trypanosoma cruzi glycerol uptake protein, putative 0.0042 0 0.5
Entamoeba histolytica hypothetical protein 0.0152 0.2867 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0322 0.0322
Trypanosoma brucei glycerol uptake protein, putative 0.0042 0 0.5
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0322 0.1124
Schistosoma mansoni hypothetical protein 0.0289 0.6419 0.6419
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0151 0.0151
Leishmania major glycerol uptake protein, putative 0.0042 0 0.5
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0151 0.0151
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0152 0.2867 0.2867
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0151 0.0151
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.002 1
Leishmania major glycerol uptake protein, putative 0.0042 0 0.5
Echinococcus multilocularis sterol O acyltransferase 1 0.0427 1 1
Treponema pallidum alginate O-acetylation protein (algI) 0.0042 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0427 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.4705 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0144 0.2667 0.2667
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0151 0.0151
Trypanosoma cruzi GUP1, putative 0.0042 0 0.5
Trypanosoma brucei glycerol uptake protein, putative 0.0042 0 0.5
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0042 0 0.5
Brugia malayi mbt repeat family protein 0.0048 0.0151 0.0528
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0151 0.0151
Entamoeba histolytica hypothetical protein 0.0152 0.2867 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0152 0.2867 0.2867
Loa Loa (eye worm) hypothetical protein 0.0048 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.0054 0.0322 0.0322
Loa Loa (eye worm) MBCTL1 0.0054 0.0322 0.0322
Brugia malayi hypothetical protein 0.0152 0.2867 1
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0151 0.0151
Schistosoma mansoni transcription factor LCR-F1 0.0152 0.2867 0.2867
Trypanosoma cruzi glycerol uptake protein, putative 0.0042 0 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.002 1
Loa Loa (eye worm) acetyltransferase 0.0144 0.2667 0.2667
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.002 0.002
Brugia malayi acetyltransferase, GNAT family protein 0.0144 0.2667 0.9301
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0322 0.0322
Leishmania major glycerol uptake protein, putative 0.0042 0 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.014 0.2562 0.2562
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0151 0.0151
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0187 0.378 0.378
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.002 1
Schistosoma mansoni sterol O-acyltransferase 1 0.0427 1 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0322 0.0322
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0322 0.0322

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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