Detailed information for compound 156253

Basic information

Technical information
  • TDR Targets ID: 156253
  • Name: 5,6-dimethyl-1,7-dihydropyrrolo[2,3-d]pyrimid in-4-one
  • MW: 163.177 | Formula: C8H9N3O
  • H donors: 2 H acceptors: 3 LogP: 1.41 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1[nH]c2c(c1C)c(O)ncn2
  • InChi: 1S/C8H9N3O/c1-4-5(2)11-7-6(4)8(12)10-3-9-7/h3H,1-2H3,(H2,9,10,11,12)
  • InChiKey: WDLIZNULNYTMOG-UHFFFAOYSA-N  


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Network

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Synonyms

No synonyms found for this compound

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
Chlamydia trachomatis thymidylate kinase 0.0446 0.5 0.5
Echinococcus multilocularis thymidylate kinase 0.0446 0.5 0.5
Schistosoma mansoni hypothetical protein 0.0446 0.5 0.5
Trypanosoma brucei thymidylate kinase, putative 0.0446 0.5 0.5
Trichomonas vaginalis thymidylate kinase, putative 0.0446 0.5 0.5
Leishmania major thymidylate kinase-like protein 0.0446 0.5 0.5
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0446 0.5 0.5
Mycobacterium ulcerans thymidylate kinase 0.0446 0.5 0.5
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0446 0.5 0.5
Trichomonas vaginalis thymidylate kinase, putative 0.0446 0.5 0.5
Giardia lamblia CDC8 0.0446 0.5 0.5
Schistosoma mansoni thymidylate kinase 0.0446 0.5 0.5
Schistosoma mansoni thymidylate kinase 0.0446 0.5 0.5
Echinococcus granulosus thymidylate kinase 0.0446 0.5 0.5
Plasmodium vivax thymidylate kinase, putative 0.0446 0.5 0.5
Entamoeba histolytica Thymidylate kinase, putative 0.0446 0.5 0.5
Plasmodium falciparum thymidylate kinase 0.0446 0.5 0.5
Toxoplasma gondii thymidylate kinase 0.0446 0.5 0.5
Treponema pallidum thymidylate kinase (tmk) 0.0446 0.5 0.5
Trypanosoma cruzi thymidylate kinase, putative 0.0446 0.5 0.5
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0446 0.5 0.5
Loa Loa (eye worm) thymidylate kinase 0.0446 0.5 0.5
Trypanosoma brucei thymidylate kinase, putative 0.0446 0.5 0.5
Onchocerca volvulus Putative thymidylate kinase 0.0446 0.5 0.5
Trypanosoma cruzi thymidylate kinase, putative 0.0446 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
KB (functional) = 33 uM Inhibition of adenylate cyclase stimulation via Adenosine A2 receptor by NECA in rat pheochromocytoma PC12 cells ChEMBL. 2213835
Kb (functional) = 33 uM Inhibition of adenylate cyclase stimulation via Adenosine A2 receptor by NECA in rat pheochromocytoma PC12 cells ChEMBL. 2213835
KB (functional) = 300 uM Reversal of adenylate cyclase inhibition via Adenosine A1 receptor by R-PIA in rat fat cells ChEMBL. 2213835
Kb (functional) = 300 uM Reversal of adenylate cyclase inhibition via Adenosine A1 receptor by R-PIA in rat fat cells ChEMBL. 2213835
Ki (binding) = 58 uM Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand ChEMBL. 2213835
Ki (binding) = 58 uM Binding affinity against Adenosine A1 receptor from rat brain membrane using [3H]-R-PIA as radioligand ChEMBL. 2213835
Ki (binding) = 176 uM Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]-NECA as radioligand ChEMBL. 2213835
Ki (binding) = 176 uM Binding affinity against Adenosine A2 receptor from rat striatal membrane using [3H]-NECA as radioligand ChEMBL. 2213835
Ratio (binding) = 3 Selectivity ratio of Ki of A2 and A1 receptor ChEMBL. 2213835

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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