Detailed information for compound 983697

Basic information

Technical information
  • TDR Targets ID: 983697
  • Name: 2-bromo-1-(3,4,5-trimethoxyphenyl)propan-1-on e
  • MW: 303.149 | Formula: C12H15BrO4
  • H donors: 0 H acceptors: 1 LogP: 2.71 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)C(=O)C(Br)C
  • InChi: 1S/C12H15BrO4/c1-7(13)11(14)8-5-9(15-2)12(17-4)10(6-8)16-3/h5-7H,1-4H3
  • InChiKey: UBCRYYSRRCGWIJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 52190-29-1
  • AIDS-167173
  • NSC407867
  • AIDS167173
  • Propiophenone, 2-bromo-3',4',5'-trimethoxy-

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
Trichomonas vaginalis bmru protein, putative 0.0024 0.0127 0.5
Trypanosoma cruzi diacylglycerol kinase, putative 0.0024 0.0127 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0127 0.5
Leishmania major hypothetical protein, conserved 0.0024 0.0127 0.5
Trichomonas vaginalis sphingosine kinase, putative 0.0024 0.0127 0.5
Echinococcus multilocularis Diacylglycerol kinase zeta 0.0024 0.0127 0.0127
Brugia malayi Diacylglycerol kinase protein 2 0.0024 0.0127 1
Trypanosoma cruzi hypothetical protein, conserved 0.0024 0.0127 0.5
Leishmania major hypothetical protein, conserved 0.0024 0.0127 0.5
Plasmodium vivax diacylglycerol kinase, putative 0.0024 0.0127 0.5
Leishmania major sphingosine kinase A, B, putative 0.0024 0.0127 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0024 0.0127 0.0127
Echinococcus granulosus Diacylglycerol kinase zeta 0.0024 0.0127 0.0127
Onchocerca volvulus Ceramide kinase 1 homolog 0.0024 0.0127 1
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0024 0.0127 0.5
Trypanosoma cruzi Diacylglycerol kinase catalytic domain containing protein, putative 0.0024 0.0127 0.5
Echinococcus multilocularis sphingosine kinase 1 0.0623 1 1
Brugia malayi Ceramide kinase 0.0024 0.0127 1
Echinococcus multilocularis ceramide kinase 0.0024 0.0127 0.0127
Brugia malayi hypothetical protein 0.0024 0.0127 1
Trichomonas vaginalis bmru protein, putative 0.0024 0.0127 0.5
Schistosoma mansoni diacylglycerol kinase theta 0.0024 0.0127 0.0127
Trypanosoma cruzi diacylglycerol kinase-like protein, putative 0.0024 0.0127 0.5
Trypanosoma cruzi diacylglycerol kinase, putative 0.0024 0.0127 0.5
Brugia malayi Eye-specific diacylglycerol kinase 0.0024 0.0127 1
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0024 0.0127 0.0127
Entamoeba histolytica hypothetical protein, conserved 0.0623 1 1
Echinococcus granulosus acylglycerol kinase mitochondrial 0.0024 0.0127 0.0127
Trypanosoma brucei Diacylglycerol kinase catalytic domain containing protein, putative 0.0024 0.0127 0.5
Brugia malayi diacylglycerol kinase 0.0024 0.0127 1
Schistosoma mansoni sphingoid long chain base kinase 0.0623 1 1
Mycobacterium ulcerans hypothetical protein 0.0623 1 1
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0024 0.0127 0.5
Trichomonas vaginalis diacylglycerol kinase, putative 0.0024 0.0127 0.5
Trypanosoma cruzi Sphingosine kinase 0.0024 0.0127 0.5
Schistosoma mansoni diacylglycerol kinase zeta iota 0.0024 0.0127 0.0127
Schistosoma mansoni sphingosine kinase A B 0.0623 1 1
Onchocerca volvulus 0.0024 0.0127 1
Echinococcus granulosus ceramide kinase 0.0024 0.0127 0.0127
Toxoplasma gondii diacylglycerol kinase accessory domain (presumed) domain-containing protein 0.0024 0.0127 0.5
Echinococcus multilocularis acylglycerol kinase, mitochondrial 0.0024 0.0127 0.0127
Plasmodium falciparum diacylglycerol kinase, putative 0.0024 0.0127 0.5
Brugia malayi diacylglycerol kinase 0.0024 0.0127 1
Loa Loa (eye worm) diacylglycerol kinase 2 0.0024 0.0127 0.0127
Schistosoma mansoni diacylglycerol kinase theta 0.0024 0.0127 0.0127
Trypanosoma brucei diacylglycerol kinase, putative 0.0024 0.0127 0.5
Trypanosoma cruzi Sphingosine kinase 0.0024 0.0127 0.5
Loa Loa (eye worm) eye-specific diacylglycerol kinase 0.0024 0.0127 0.0127
Toxoplasma gondii diacylglycerol kinase catalytic domain-containing protein 0.0024 0.0127 0.5
Schistosoma mansoni hypothetical protein 0.0024 0.0127 0.0127
Trichomonas vaginalis diacylglycerol kinase, putative 0.0024 0.0127 0.5
Trichomonas vaginalis sphingosine kinase, putative 0.0024 0.0127 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0127 0.5
Leishmania major diacylglycerol kinase-like protein 0.0024 0.0127 0.5
Loa Loa (eye worm) ceramide kinase 0.0024 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0024 0.0127 0.0127
Leishmania major diacylglycerol kinase, putative 0.0024 0.0127 0.5
Loa Loa (eye worm) hypothetical protein 0.0623 1 1
Trypanosoma brucei Sphingosine kinase 0.0024 0.0127 0.5
Echinococcus multilocularis Diacylglycerol kinase theta 0.0024 0.0127 0.0127
Trichomonas vaginalis diacylglycerol kinase, epsilon, putative 0.0024 0.0127 0.5
Toxoplasma gondii diacylglycerol kinase, putative 0.0024 0.0127 0.5
Plasmodium falciparum diacylglycerol kinase, putative 0.0024 0.0127 0.5
Mycobacterium tuberculosis Conserved protein 0.0623 1 1
Trichomonas vaginalis diacylglycerol kinase, zeta, iota, putative 0.0024 0.0127 0.5
Plasmodium vivax diacylglycerol kinase, putative 0.0024 0.0127 0.5
Echinococcus granulosus Diacylglycerol kinase theta 0.0024 0.0127 0.0127

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antifungal activity against Saccharomyces cerevisiae ATCC 9763 by agar dilution method ChEMBL. 10543891
Activity (functional) Antifungal activity against Cryptococcus neoformans ATCC 32264 by agar dilution method ChEMBL. 10543891
Activity (functional) Antifungal activity against Candida albicans ATCC 10231 by agar dilution method ChEMBL. 10543891

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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