Detailed information for compound 167307

Basic information

Technical information
  • TDR Targets ID: 167307
  • Name: 1-cyclopentyl-4,6-dimethyltriazolo[4,5-d]pyri midine-5,7-dione
  • MW: 249.269 | Formula: C11H15N5O2
  • H donors: 0 H acceptors: 4 LogP: 0.41 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1c(=O)n(C)c2c(c1=O)n(nn2)C1CCCC1
  • InChi: 1S/C11H15N5O2/c1-14-9-8(10(17)15(2)11(14)18)16(13-12-9)7-5-3-4-6-7/h7H,3-6H2,1-2H3
  • InChiKey: MDVBUPVGQLDJLI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-cyclopentyl-4,6-dimethyl-triazolo[4,5-d]pyrimidine-5,7-dione
  • 1-cyclopentyl-4,6-dimethyl-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione
  • 1-cyclopentyl-4,6-dimethyl-triazolo[4,5-d]pyrimidine-5,7-quinone
  • 1-cyclopentyl-4,6-dimethyltriazolo[5,4-e]pyrimidine-5,7-dione
  • 1-cyclopentyl-4,6-dimethyl-triazolo[5,4-e]pyrimidine-5,7-dione
  • 1-cyclopentyl-4,6-dimethyl-triazolo[5,4-e]pyrimidine-5,7-quinone
  • 1-cyclopentyl-4,6-dimethyl-[1,2,3]triazolo[5,4-e]pyrimidine-5,7-dione

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Bos taurus Adenosine A1 receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum 5-hydroxytryptamine receptor 4, putative Adenosine A1 receptor   326 aa 301 aa 25.6 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 307 aa 21.2 %
Schistosoma mansoni peptide (allatostatin)-like receptor Adenosine A1 receptor   326 aa 312 aa 24.0 %
Onchocerca volvulus Ubiquinol-cytochrome-c reductase complex assembly factor 1 homolog Adenosine A1 receptor   326 aa 286 aa 22.7 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Adenosine A1 receptor   326 aa 318 aa 22.3 %
Schistosoma mansoni opsin-like receptor Adenosine A1 receptor   326 aa 315 aa 23.8 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 326 aa 20.2 %
Brugia malayi hypothetical protein Adenosine A1 receptor   326 aa 311 aa 21.9 %
Schistosoma mansoni opsin-like receptor Adenosine A1 receptor   326 aa 312 aa 22.1 %
Loa Loa (eye worm) hypothetical protein Adenosine A1 receptor   326 aa 296 aa 22.6 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 277 aa 23.8 %
Echinococcus granulosus allatostatin A receptor Adenosine A1 receptor   326 aa 304 aa 25.3 %
Echinococcus multilocularis allatostatin A receptor Adenosine A1 receptor   326 aa 306 aa 26.1 %
Onchocerca volvulus Adenosine A1 receptor   326 aa 311 aa 21.9 %
Schistosoma mansoni neuropeptide receptor Adenosine A1 receptor   326 aa 314 aa 21.7 %
Schistosoma japonicum ko:K04134 cholinergic receptor, invertebrate, putative Adenosine A1 receptor   326 aa 331 aa 25.7 %
Loa Loa (eye worm) neuropeptide F receptor Adenosine A1 receptor   326 aa 316 aa 19.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.002 0.2048 1
Echinococcus granulosus bloom syndrome protein 0.0021 0.2249 0.2221
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0036 0.0036
Loa Loa (eye worm) doublecortin family protein 0.002 0.2048 0.9091
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.002 0.2048 0.9091
Brugia malayi hypothetical protein 0.002 0.2048 0.9091
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.2249 1
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0058 1 1
Schistosoma mansoni hypothetical protein 0.0058 1 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0057 0.963 0.9628
Schistosoma mansoni hypothetical protein 0.002 0.2048 0.2048
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.2249 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0058 1 1
Treponema pallidum ATP-dependent DNA helicase 0.0011 0.0086 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0036 0.0036
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0058 1 1
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.2048 0.202
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0021 0.2249 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0021 0.2249 0.2221
Giardia lamblia Rrm3p helicase 0.0058 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0036 0.0036
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0036 0.0036
Schistosoma mansoni polycystin 1-related 0.002 0.2048 0.2048
Schistosoma mansoni coup transcription factor 0.0011 0.0036 0.0036
Schistosoma mansoni blooms syndrome DNA helicase 0.0011 0.0086 0.0086
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.2048 0.202
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.002 0.2048 0.9091
Loa Loa (eye worm) hypothetical protein 0.0021 0.2249 1
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.2048 0.202
Echinococcus granulosus RUN 0.002 0.2048 0.202
Echinococcus multilocularis bloom syndrome protein 0.0021 0.2249 0.2221
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0011 0.0086 0.0225
Brugia malayi Doublecortin family protein 0.002 0.2048 0.9091
Schistosoma mansoni lipoxygenase 0.0057 0.963 0.963
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0058 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0036 0.0036
Entamoeba histolytica hypothetical protein, conserved 0.0058 1 1
Entamoeba histolytica DNA repair and recombination protein, putative 0.0058 1 1
Entamoeba histolytica recQ family helicase, putative 0.0021 0.2249 0.2249
Schistosoma mansoni rab6-interacting 0.002 0.2048 0.2048
Schistosoma mansoni rab6-interacting 0.002 0.2048 0.2048
Trichomonas vaginalis conserved hypothetical protein 0.0058 1 1
Entamoeba histolytica recQ family DNA helicase 0.0011 0.0086 0.0086
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0011 0.0086 0.0418
Schistosoma mansoni DNA helicase recq1 0.0021 0.2249 0.2249
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.2249 1
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0036 0.0036
Schistosoma mansoni loxhd1 0.002 0.2048 0.2048
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.2048 0.202
Echinococcus multilocularis RUN 0.002 0.2048 0.202
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0058 1 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.2048 0.202
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0036 0.0036
Brugia malayi hypothetical protein 0.002 0.2048 0.9091
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0057 0.963 0.9628
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0021 0.2249 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0036 0.0036
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.2249 1
Onchocerca volvulus 0.002 0.2048 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0086 0.0225
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0021 0.2249 0.2221
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0021 0.2249 1
Loa Loa (eye worm) RecQ helicase 0.0021 0.2249 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0021 0.2249 0.2221
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0011 0.0086 0.0381
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0036 0.0036
Schistosoma mansoni lipoxygenase 0.002 0.2048 0.2048
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0058 1 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0058 1 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0021 0.2249 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0058 1 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0021 0.2249 0.2221
Plasmodium vivax multidomain scavenger receptor, putative 0.002 0.2048 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0021 0.2249 0.2182
Schistosoma mansoni DNA helicase recq5 0.0021 0.2249 0.2249
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.2048 0.202

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 11 uM Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane ChEMBL. 8071944
Ki (binding) = 11 uM Affinity to A1 adenosine receptor was measured by the displacement of [3H]-PIA in bovine brain cortical membrane ChEMBL. 8071944
Ki (binding) = 292 uM Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane ChEMBL. 8071944
Ki (binding) = 292 uM Affinity to A2 adenosine receptor was measured by the displacement of [3H]-CGS- 21680 in bovine brain striatal membrane ChEMBL. 8071944
Ratio (binding) = 26 Ratio between the Ki values of A2 and A1 receptors ChEMBL. 8071944

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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