Detailed information for compound 864768

Basic information

Technical information
  • TDR Targets ID: 864768
  • Name: 3-methyl-7-(phenylmethyl)purine-2,6-dione
  • MW: 256.26 | Formula: C13H12N4O2
  • H donors: 1 H acceptors: 3 LogP: 0.98 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1[nH]c(=O)n(c2c1n(cn2)Cc1ccccc1)C
  • InChi: 1S/C13H12N4O2/c1-16-11-10(12(18)15-13(16)19)17(8-14-11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,18,19)
  • InChiKey: NGGPQVDOOZWSIG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 7-(benzyl)-3-methyl-xanthine
  • Oprea1_158654
  • Purine-2,6-dione, 7-benzyl-3-methyl-3,7-dihydro-
  • ZERO/001319
  • ChemDiv1_027535
  • ZINC00052624

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
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0085 0.0216 0.0371
Echinococcus granulosus glutathione S transferase Mu 1 0.0457 0.3191 1
Loa Loa (eye worm) hypothetical protein 0.0762 0.5635 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0762 0.5635 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0085 0.0216 0.0216
Plasmodium vivax aspartyl protease, putative 0.0085 0.0216 0.0235
Echinococcus multilocularis glutathione S transferase 0.0102 0.0354 0.1633
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.182 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0195 0.1097 0.1937
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0195 0.1097 0.1097
Brugia malayi Dolichyl-diphosphooligosaccharide--protein glycosyltransferase 48 kDasubunit precursor 0.0178 0.0955 0.5249
Trichomonas vaginalis dolichyl-diphosphooligosaccharide--protein glycosyltransferase, putative 0.0178 0.0955 0.8694
Loa Loa (eye worm) hypothetical protein 0.0762 0.5635 1
Echinococcus multilocularis glutathione s transferase mu 0.0126 0.0541 0.2703
Echinococcus multilocularis dolichyl diphosphooligosaccharide protein 0.0178 0.0955 0.5065
Plasmodium vivax aspartyl proteinase, putative 0.0085 0.0216 0.0235
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0085 0.0216 0.0216
Brugia malayi Pepsin A precursor 0.0085 0.0216 0.1187
Plasmodium falciparum dolichyl-diphosphooligosaccharide--protein glycosyltransferase, putative 0.0178 0.0955 0.8384
Loa Loa (eye worm) hypothetical protein 0.0762 0.5635 1
Entamoeba histolytica dolichyl-diphosphooligosaccharide-protein glycotransferase, putative 0.0178 0.0955 1
Plasmodium falciparum plasmepsin II 0.0195 0.1097 1
Echinococcus multilocularis glutathione S transferase 0.0126 0.0541 0.2703
Echinococcus multilocularis glutathione S transferase 0.0083 0.0195 0.0725
Brugia malayi Eukaryotic aspartyl protease family protein 0.0085 0.0216 0.1187
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0195 0.1097 0.3425
Schistosoma mansoni GST class-mu 0.0126 0.0541 0.0541
Echinococcus granulosus prostaglandin H2 D isomerase 0.0083 0.0195 0.0589
Echinococcus multilocularis glutathione S transferase 0.0102 0.0354 0.1633
Toxoplasma gondii aspartyl protease ASP1 0.0195 0.1097 0.1627
Loa Loa (eye worm) hypothetical protein 0.0286 0.182 0.322
Loa Loa (eye worm) hypothetical protein 0.0195 0.1097 0.1937
Echinococcus granulosus glutathione S transferase 0.0067 0.0068 0.019
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0195 0.1097 0.5878
Loa Loa (eye worm) hypothetical protein 0.0085 0.0216 0.0371
Plasmodium falciparum plasmepsin I 0.0195 0.1097 1
Schistosoma mansoni cathepsin D (A01 family) 0.0476 0.3347 0.3347
Brugia malayi aspartic protease BmAsp-1, identical 0.0085 0.0216 0.1187
Loa Loa (eye worm) dolichyl-di-phosphooligosaccharide-protein glycotransferase 0.0178 0.0955 0.1684
Brugia malayi Glutathione S-transferase 4 0.0059 0.0007 0.004
Plasmodium vivax plasmepsin V, putative 0.0085 0.0216 0.0235
Onchocerca volvulus 0.0085 0.0216 1
Schistosoma mansoni glutathione-S-transferase 0.0126 0.0541 0.0541
Schistosoma mansoni cathepsin D (A01 family) 0.0476 0.3347 0.3347
Loa Loa (eye worm) hypothetical protein 0.0244 0.1487 0.2628
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0085 0.0216 0.0216
Plasmodium vivax aspartyl protease, putative 0.0085 0.0216 0.0235
Plasmodium vivax aspartyl protease, putative 0.0085 0.0216 0.0235
Loa Loa (eye worm) hypothetical protein 0.0085 0.0216 0.0371
Echinococcus granulosus glutathione s transferase mu 0.0126 0.0541 0.1678
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0085 0.0216 0.0216
Brugia malayi hypothetical protein 0.0286 0.182 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0085 0.0216 0.0216
Plasmodium falciparum glutathione S-transferase 0.0126 0.0541 0.3692
Plasmodium falciparum plasmepsin VI 0.0195 0.1097 1
Echinococcus multilocularis glutathione S-transferase 0.0126 0.0541 0.2703
Plasmodium vivax aspartyl proteinase, putative 0.0195 0.1097 1
Loa Loa (eye worm) aspartyl protease 6 0.0085 0.0216 0.0371
Toxoplasma gondii hypothetical protein 0.0762 0.5635 1
Plasmodium vivax dolichyl-diphosphooligosaccharide--protein glycosyltransferase, putative 0.0178 0.0955 0.8422
Schistosoma mansoni dolichyl-diphosphooligosaccharide-protein glycosyltransferase 0.0178 0.0955 0.0955
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0085 0.0216 0.0216
Onchocerca volvulus 0.0085 0.0216 1
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0195 0.1097 1
Echinococcus multilocularis prostaglandin H2 D isomerase 0.0083 0.0195 0.0725
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0195 0.1097 0.1627
Plasmodium vivax plasmepsin IV, putative 0.0195 0.1097 1
Echinococcus multilocularis glutathione S transferase 0.0126 0.0541 0.2703
Toxoplasma gondii dolichyl-diphosphooligosaccharide--protein glycosyltransferase 0.0178 0.0955 0.1364
Onchocerca volvulus 0.0059 0.0007 0.0339
Echinococcus granulosus glutathione S transferase 0.0126 0.0541 0.1678
Brugia malayi hypothetical protein 0.0085 0.0216 0.1187
Brugia malayi aspartic protease BmAsp-2, identical 0.0085 0.0216 0.1187
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0085 0.0216 0.0216
Echinococcus granulosus dolichyl diphosphooligosaccharide protein 0.0178 0.0955 0.2977
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0085 0.0216 0.0216
Schistosoma mansoni Glutathione S-transferase 28 kDa (GST 28) (GST class-mu) 0.0083 0.0195 0.0195
Brugia malayi glutathione transferase 0.0244 0.1487 0.817
Plasmodium falciparum plasmepsin IV 0.0195 0.1097 1
Echinococcus granulosus glutathione S transferase 0.0067 0.0068 0.019
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.182 0.5693
Entamoeba histolytica dolichyl-di-phosphooligosaccharide-protein glycotransferase, putative 0.0178 0.0955 1
Brugia malayi hypothetical protein 0.0085 0.0216 0.1187

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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