Detailed information for compound 1809581

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 371.182 | Formula: C18H11BrO4
  • H donors: 1 H acceptors: 3 LogP: 4.49 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)/C=C/C(=O)c1c(=O)oc2c(c1O)cccc2
  • InChi: 1S/C18H11BrO4/c19-12-8-5-11(6-9-12)7-10-14(20)16-17(21)13-3-1-2-4-15(13)23-18(16)22/h1-10,21H/b10-7+
  • InChiKey: ZTPOPKVSEWJHLT-JXMROGBWSA-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
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0026 0 0.5
Trichomonas vaginalis ankyrin repeat-containing protein, putative 0.0026 1 1
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.0026 0 0.5
Toxoplasma gondii protein kinase 0.0026 0 0.5
Trypanosoma brucei Pseudokinase, putative 0.0026 0 0.5
Brugia malayi Protein kinase domain containing protein 0.0026 1 1
Schistosoma mansoni protein kinase 0.0026 1 1
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0026 0 0.5
Entamoeba histolytica protein kinase, putative 0.0026 1 1
Plasmodium falciparum tyrosine kinase-like protein 0.0026 0 0.5
Trypanosoma cruzi protein kinase, putative 0.0026 0 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0026 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0026 1 1
Echinococcus multilocularis integrin linked protein kinase 0.0026 1 1
Toxoplasma gondii Tyrosine kinase-like (TKL) protein 0.0026 0 0.5
Trypanosoma cruzi protein kinase, putative 0.0026 0 0.5
Trypanosoma brucei Flagellum attachment zone protein 20 0.0026 0 0.5
Trichomonas vaginalis TKL family protein kinase 0.0026 1 1
Trichomonas vaginalis TKL family protein kinase 0.0026 1 1
Loa Loa (eye worm) TKL/MLK/ILK protein kinase 0.0026 1 1
Plasmodium vivax tyrosine kinase-like protein, putative 0.0026 0 0.5
Giardia lamblia Protein 21.1 0.0026 1 1
Echinococcus multilocularis tyrosine protein kinase shark 0.0026 1 1
Trichomonas vaginalis TKL family protein kinase 0.0026 1 1
Entamoeba histolytica ankyrin repeat protein 0.0026 1 1
Plasmodium falciparum protein kinase, putative 0.0026 0 0.5
Plasmodium falciparum tyrosine kinase-like protein 0.0026 0 0.5
Toxoplasma gondii STE kinase 0.0026 0 0.5
Trypanosoma brucei AGC/RSK family serine/threonine kinase, putative 0.0026 0 0.5
Trypanosoma brucei protein kinase, putative 0.0026 0 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0026 0 0.5
Schistosoma mansoni tyrosine kinase 0.0026 1 1
Leishmania major protein kinase, putative 0.0026 0 0.5
Toxoplasma gondii protein kinase domain-containing protein 0.0026 0 0.5
Plasmodium falciparum protein kinase, putative 0.0026 0 0.5
Plasmodium vivax tyrosine kinase-like protein, putative 0.0026 0 0.5
Schistosoma mansoni protein kinase 0.0026 1 1
Entamoeba histolytica protein kinase, putative 0.0026 1 1
Echinococcus granulosus tyrosine protein kinase shark 0.0026 1 1
Loa Loa (eye worm) TKL/MLK/HH498 protein kinase 0.0026 1 1
Leishmania major protein kinase, putative 0.0026 0 0.5
Echinococcus granulosus integrin linked protein kinase 0.0026 1 1
Onchocerca volvulus 0.0026 1 1
Plasmodium falciparum protein kinase, putative 0.0026 0 0.5
Plasmodium vivax protein kinase, putative 0.0026 0 0.5
Giardia lamblia Kinase, NEK 0.0026 1 1
Leishmania major hypothetical protein, conserved 0.0026 0 0.5

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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