Detailed information for compound 1943954

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 459.29 | Formula: C21H19BrN2O5
  • H donors: 3 H acceptors: 3 LogP: 3.69 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCNc1cc(oc(=O)c1C(=O)Nc1ccccc1OC)c1cccc(c1)Br
  • InChi: 1S/C21H19BrN2O5/c1-28-17-8-3-2-7-15(17)24-20(26)19-16(23-9-10-25)12-18(29-21(19)27)13-5-4-6-14(22)11-13/h2-8,11-12,23,25H,9-10H2,1H3,(H,24,26)
  • InChiKey: LYULKNJMVHIZDF-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
Plasmodium falciparum histone acetyltransferase GCN5 0.0036 0.0667 1
Mycobacterium ulcerans hypothetical protein 0.0156 0.4152 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0135 0.3536 0.749
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0022 0.0254 0.5
Echinococcus granulosus lamin dm0 0.0025 0.0339 0.0434
Schistosoma mansoni hypothetical protein 0.0174 0.4674 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.011 0.2805 0.5875
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0156 0.4152 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0339 0.0577
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0022 0.0254 0.0246
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.004 0.0764 1
Schistosoma mansoni hypothetical protein 0.0174 0.4674 1
Loa Loa (eye worm) doublecortin family protein 0.0018 0.0143 0.0243
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0156 0.4152 1
Plasmodium falciparum ornithine aminotransferase 0.0022 0.0254 0.2129
Brugia malayi Doublecortin family protein 0.0018 0.0143 0.0243
Brugia malayi hypothetical protein 0.0018 0.0143 0.0243
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0216 0.5885 1
Onchocerca volvulus 0.0025 0.0339 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0143 0.0243
Echinococcus granulosus intermediate filament protein 0.0025 0.0339 0.0434
Mycobacterium tuberculosis Probable aminotransferase 0.0156 0.4152 1
Brugia malayi hypothetical protein 0.0018 0.0143 0.0243
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.004 0.0764 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.011 0.2805 0.5875
Echinococcus granulosus histone acetyltransferase KAT2B 0.004 0.0764 0.137
Echinococcus multilocularis musashi 0.0025 0.0339 0.0434
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0254 0.0246
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0025 0.0339 0.0577
Echinococcus multilocularis geminin 0.0174 0.4674 1
Loa Loa (eye worm) intermediate filament protein 0.0025 0.0339 0.0577
Echinococcus granulosus histone acetyltransferase KAT2B 0.0131 0.3426 0.7247
Loa Loa (eye worm) acetyltransferase 0.0135 0.3536 0.6009
Echinococcus granulosus geminin 0.0174 0.4674 1
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0022 0.0254 0.5
Plasmodium vivax histone acetyltransferase GCN5, putative 0.004 0.0764 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0156 0.4152 1
Schistosoma mansoni lamin 0.0025 0.0339 0.0434
Brugia malayi acetyltransferase, GNAT family protein 0.0135 0.3536 0.6009
Onchocerca volvulus 0.0025 0.0339 1
Schistosoma mansoni lipoxygenase 0.0077 0.1843 0.3752
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0022 0.0254 0.0432
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0102 0.2565 0.2034
Brugia malayi follicle stimulating hormone receptor 0.0216 0.5885 1
Entamoeba histolytica hypothetical protein 0.0102 0.2565 0.2034
Echinococcus granulosus ornithine aminotransferase 0.0022 0.0254 0.0246
Schistosoma mansoni lamin 0.0025 0.0339 0.0434
Plasmodium vivax ornithine aminotransferase, putative 0.0022 0.0254 0.1799
Loa Loa (eye worm) hypothetical protein 0.0018 0.0143 0.0243
Echinococcus granulosus Aminotransferase class III 0.0022 0.0254 0.0246
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.0254 0.0246
Schistosoma mansoni lipoxygenase 0.011 0.2805 0.5875
Brugia malayi Intermediate filament tail domain containing protein 0.0025 0.0339 0.0577
Echinococcus multilocularis lamin dm0 0.0025 0.0339 0.0434
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0156 0.4152 1
Echinococcus multilocularis Aminotransferase class III 0.0022 0.0254 0.0246
Echinococcus granulosus lamin 0.0025 0.0339 0.0434
Schistosoma mansoni intermediate filament proteins 0.0025 0.0339 0.0434
Echinococcus multilocularis lamin 0.0025 0.0339 0.0434
Loa Loa (eye worm) hypothetical protein 0.0025 0.0326 0.0554
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0135 0.3536 0.749
Brugia malayi intermediate filament protein 0.0025 0.0339 0.0577

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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