Detailed information for compound 832735

Basic information

Technical information
  • TDR Targets ID: 832735
  • Name: 1-(2-diethylaminoethyl)-3-methyl-7H-purine-2, 6-dione
  • MW: 265.312 | Formula: C12H19N5O2
  • H donors: 1 H acceptors: 3 LogP: 0.21 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCn1c(=O)c2nc[nH]c2n(c1=O)C)CC
  • InChi: 1S/C12H19N5O2/c1-4-16(5-2)6-7-17-11(18)9-10(14-8-13-9)15(3)12(17)19/h8H,4-7H2,1-3H3,(H,13,14)
  • InChiKey: KHVHEXBOZKSGHE-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(2-diethylaminoethyl)-3-methyl-7H-purine-2,6-quinone
  • Oprea1_446779
  • STOCK1N-25985

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 calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.2921 0.8699 0.8699
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.173 0.2505 0.2505
Mycobacterium ulcerans putative regulatory protein 0.1248 0 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.2921 0.8699 0.8699
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.2921 0.8699 0.8699
Toxoplasma gondii hypothetical protein 0.2439 0.6194 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2921 0.8699 0.8699
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2921 0.8699 0.8699
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.2921 0.8699 0.8699
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.2921 0.8699 0.8699
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.1248 0 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2921 0.8699 0.8699
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2921 0.8699 0.8699
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.2921 0.8699 0.8699
Trypanosoma brucei cAMP-specific phosphodiesterase 0.2921 0.8699 0.5
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.2921 0.8699 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1672 0.2207 0.2207
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2921 0.8699 0.8699
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.2921 0.8699 0.8699
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2921 0.8699 0.8699
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.2921 0.8699 0.8699
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2921 0.8699 0.8699
Loa Loa (eye worm) hypothetical protein 0.3171 1 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.2921 0.8699 0.8699
Schistosoma mansoni retinal rod rhodopsin-sensitive cgmp 3'5'-cyclic phosphodiesterase 0.3171 1 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.2921 0.8699 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2921 0.8699 0.8699
Loa Loa (eye worm) hypothetical protein 0.173 0.2505 0.2505
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2921 0.8699 0.8699
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.173 0.2505 0.2505
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.1672 0.2207 0.2207
Trichomonas vaginalis conserved hypothetical protein 0.2439 0.6194 0.6194
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.2921 0.8699 0.8699
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.173 0.2505 0.2505
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.2921 0.8699 0.8699
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2921 0.8699 0.8699
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.2921 0.8699 1
Trichomonas vaginalis conserved hypothetical protein 0.2439 0.6194 0.6194
Trichomonas vaginalis conserved hypothetical protein 0.2439 0.6194 0.6194
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.2921 0.8699 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.2921 0.8699 1
Trichomonas vaginalis conserved hypothetical protein 0.2921 0.8699 0.8699
Trypanosoma brucei cAMP-specific phosphodiesterase 0.2921 0.8699 0.5
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.1248 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2921 0.8699 0.8699
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.2921 0.8699 0.8699
Plasmodium vivax hypothetical protein, conserved 0.1248 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.2921 0.8699 0.8699
Mycobacterium ulcerans putative regulatory protein 0.1248 0 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2921 0.8699 0.8699
Trichomonas vaginalis retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase, putative 0.3171 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.2921 0.8699 0.8699
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.1248 0 0.5
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.2921 0.8699 0.8264
Mycobacterium leprae conserved hypothetical protein 0.1248 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.2921 0.8699 0.8699
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.2921 0.8699 0.8699
Plasmodium falciparum GAF domain-related protein, putative 0.1248 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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