Detailed information for compound 25217

Basic information

Technical information
  • TDR Targets ID: 25217
  • Name: 2-(methoxymethyl)anthracene-9,10-dione
  • MW: 252.265 | Formula: C16H12O3
  • H donors: 0 H acceptors: 2 LogP: 2.52 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1
  • InChi: 1S/C16H12O3/c1-19-9-10-6-7-13-14(8-10)16(18)12-5-3-2-4-11(12)15(13)17/h2-8H,9H2,1H3
  • InChiKey: QLQSLEXHHJFYQY-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(methoxymethyl)-9,10-anthraquinone

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 multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0044 1 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 0.5
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 0.5
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0044 1 0.5
Entamoeba histolytica hypothetical protein 0.0044 1 0.5
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 0.5
Plasmodium vivax polyprenol reductase, putative 0.0044 1 0.5
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0044 1 0.5
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 1 1
Echinococcus multilocularis synaptic glycoprotein sc2 0.0044 1 1
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0044 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0044 1 0.5
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0044 1 0.5
Mycobacterium ulcerans hypothetical protein 0.0044 1 0.5
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0044 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 1 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 1 1
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0044 1 0.5
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0044 1 0.5
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0044 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0044 1 0.5
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 0.5
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0044 1 1
Giardia lamblia Synaptic glycoprotein SC2 0.0044 1 0.5
Onchocerca volvulus 0.0044 1 1
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 0.5
Plasmodium falciparum polyprenol reductase, putative 0.0044 1 0.5
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0044 1 0.5
Echinococcus granulosus synaptic glycoprotein sc2 0.0044 1 1
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 0.5
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0044 1 0.5
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0044 1 0.5
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 0.5
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0044 1 1
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0044 1 0.5
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0044 1 0.5
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0044 1 1

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.6 uM Compound is measured for surviving fractions of EMT6 tumor cells treated in culture with (0.50 microM) concentration of the compound for 1 h under hypoxic condition. ChEMBL. 7452674
ED50 (functional) = 0.6 uM Compound is measured for surviving fractions of EMT6 tumor cells treated in culture with (0.50 microM) concentration of the compound for 1 h under hypoxic condition. ChEMBL. 7452674
ED50 (functional) = 3 uM Compound is measured for surviving fractions of EMT6 tumor cells treated in culture with (0.50 microM) concentration of the compound for 1 h under aerobic condition. ChEMBL. 7452674
ED50 (functional) = 3 uM Compound is measured for surviving fractions of EMT6 tumor cells treated in culture with (0.50 microM) concentration of the compound for 1 h under aerobic condition. ChEMBL. 7452674
Ratio (functional) = 50 Ratio of toxicity in areobic conditions to hypoxic condition of EMT6 cells ChEMBL. 7452674

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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