Detailed information for compound 1692490

Basic information

Technical information
  • TDR Targets ID: 1692490
  • Name: sodium 3,7-dimethylpurine-2,6-dione acetate
  • MW: 262.198 | Formula: C9H11N4NaO4
  • H donors: 2 H acceptors: 5 LogP: -0.82 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1cnc2c1c(=O)[nH]c(=O)n2C.[O-]C(=O)C.[Na+]
  • InChi: 1S/C7H8N4O2.C2H4O2.Na/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2;1-2(3)4;/h3H,1-2H3,(H,9,12,13);1H3,(H,3,4);/q;;+1/p-1
  • InChiKey: TYIPBFCVIBTJOV-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

  • sodium theobromine acetate
  • sodium 3,7-dimethylpurine-2,6-dione ethanoate

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 nardilysin 0.0018 0.1697 0.1697
Echinococcus granulosus insulin degrading enzyme 0.0029 0.5354 0.5354
Onchocerca volvulus 0.0012 0 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0012 0 0.5
Entamoeba histolytica hypothetical protein 0.0044 1 0.5
Schistosoma mansoni insulysin unit 3 (M16 family) 0.0029 0.5354 0.5354
Schistosoma mansoni insulysin (M16 family) 0.0016 0.1242 0.1242
Leishmania major phosphoglycan beta 1,3 galactosyltransferase 5 0.0029 0.5354 0.5
Toxoplasma gondii rhoptry metalloprotease toxolysin TLN1 0.0029 0.5354 1
Schistosoma mansoni nardilysin (M16 family) 0.0029 0.5354 0.5354
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0044 1 1
Brugia malayi insulin-degrading enzyme 0.0029 0.5354 0.5354
Schistosoma mansoni transcription factor LCR-F1 0.0044 1 1
Chlamydia trachomatis insulinase family protease III 0.0029 0.5354 0.5
Schistosoma mansoni nardilysin (M16 family) 0.0029 0.5354 0.5354
Echinococcus multilocularis nardilysin 0.0029 0.5354 0.5354
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0 0.5
Loa Loa (eye worm) insulin-degrading enzyme 0.0029 0.5354 1
Schistosoma mansoni hypothetical protein 0.0044 1 1
Echinococcus multilocularis insulin degrading enzyme 0.0029 0.5354 0.5354
Entamoeba histolytica hypothetical protein 0.0044 1 0.5
Entamoeba histolytica hypothetical protein 0.0044 1 0.5
Echinococcus granulosus nardilysin 0.0029 0.5354 0.5354
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0 0.5
Schistosoma mansoni insulysin unit 3 (M16 family) 0.0029 0.5354 0.5354
Trypanosoma cruzi peptidase, putative 0.0029 0.5354 0.5
Entamoeba histolytica hypothetical protein 0.0044 1 0.5
Toxoplasma gondii sporozoite developmental protein 0.0029 0.5354 1
Echinococcus granulosus 3'partial|nardilysin 0.0029 0.5354 0.5354
Trypanosoma cruzi peptidase, putative 0.0029 0.5354 0.5
Toxoplasma gondii insulysin, putative 0.0028 0.4899 0.9116
Trypanosoma brucei peptidase, putative 0.0029 0.5354 0.5
Echinococcus granulosus 5'partial|nardilysin 0.0013 0.0205 0.0205
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0044 1 1
Toxoplasma gondii peptidase M16 inactive domain-containing protein 0.0018 0.1697 0.2898
Echinococcus multilocularis nardilysin 0.0029 0.5354 0.5354

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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