Detailed information for compound 1970489

Basic information

Technical information
  • TDR Targets ID: 1970489
  • Name: 2-(2-methylpyrrolidin-1-yl)-5-[2-(2-methyl-1, 3-thiazol-4-yl)ethynyl]pyrimidine
  • MW: 284.379 | Formula: C15H16N4S
  • H donors: 0 H acceptors: 3 LogP: 3.07 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCCN1c1ncc(cn1)C#Cc1csc(n1)C
  • InChi: 1S/C15H16N4S/c1-11-4-3-7-19(11)15-16-8-13(9-17-15)5-6-14-10-20-12(2)18-14/h8-11H,3-4,7H2,1-2H3
  • InChiKey: FUJBFNPDLNUWAR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-methylpyrrolidin-1-yl)-5-[2-(2-methylthiazol-4-yl)ethynyl]pyrimidine
  • 2-(2-methyl-1-pyrrolidinyl)-5-[2-(2-methyl-4-thiazolyl)ethynyl]pyrimidine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Metabotropic glutamate receptor 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus metabotropic glutamate receptor 2 Get druggable targets OG5_127095 All targets in OG5_127095
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127095 All targets in OG5_127095
Loa Loa (eye worm) glutamate receptor Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma mansoni metabotropic glutamate receptor Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus granulosus metabotropic glutamate receptor 5 Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) Get druggable targets OG5_127095 All targets in OG5_127095
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum ko:K04606 glutamate receptor, metabotropic 3, putative Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus multilocularis metabotropic glutamate receptor 2 Get druggable targets OG5_127095 All targets in OG5_127095
Brugia malayi Metabotropic glutamate receptor precursor. Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum Metabotropic glutamate receptor precursor, putative Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus multilocularis metabotropic glutamate receptor 5 Get druggable targets OG5_127095 All targets in OG5_127095
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 replication factor A 1, rfa1, putative 0.005 0.7971 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0044 0.6826 0.8564
Trypanosoma brucei Replication factor A protein 1 0.0024 0.277 0.5
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.005 0.7971 1
Echinococcus multilocularis replication protein A 70 kDa DNA binding 0.005 0.7971 0.4716
Loa Loa (eye worm) hypothetical protein 0.0013 0.0485 0.0485
Onchocerca volvulus Putative replication factor A 73 kDa subunit 0.0045 0.6922 0.5
Plasmodium vivax replication protein A1, large subunit, putative 0.0024 0.277 0.5
Trichomonas vaginalis replication factor A 1, rfa1, putative 0.0048 0.7478 0.9053
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0056 0.9082 1
Entamoeba histolytica replication factor A protein 1, putative 0.0022 0.2278 0.5
Toxoplasma gondii replication factor-a protein 1 (rpa1) subfamily protein 0.0024 0.277 1
Plasmodium falciparum replication protein A1, large subunit 0.0024 0.277 0.5
Schistosoma mansoni replication factor A 1 rfa1 0.005 0.7971 0.8248
Loa Loa (eye worm) replication factor A 73 kDa subunit 0.005 0.7971 0.7971
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0013 0.0485 0.0485
Echinococcus granulosus replication protein A 70 kDa DNA binding 0.005 0.7971 0.4716
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0013 0.0485 0.0485
Brugia malayi Metabotropic glutamate receptor precursor. 0.0049 0.7744 0.9716
Trypanosoma cruzi Replication factor A protein 1 0.0024 0.277 0.5
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.006 1 1
Loa Loa (eye worm) glutamate receptor 0.0049 0.7744 0.7744
Brugia malayi metabotropic glutamate receptor type 2 0.0024 0.2741 0.3438
Schistosoma mansoni metabotropic glutamate receptor 0.0041 0.616 0.5392
Loa Loa (eye worm) glutamate receptor 0.0019 0.1823 0.1823
Leishmania major replication factor A, 51kDa subunit, putative 0.0024 0.277 0.5
Brugia malayi Receptor family ligand binding region containing protein 0.0013 0.0485 0.0608
Brugia malayi replication factor A 73 kDa subunit 0.005 0.7971 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1.5 nM BindingDB_Patents: Binding Assay. Binding assays were performed as described in Schaffhauser H, Richards J G, Cartmell J, Chaboz S, Kemp J A, Klingelschmidt A, Messer J, Stadler H, Woltering T and Mutel V (1998) In vitro binding characteristics of a new selective group II metabotropic glutamate receptor radioligand, [3H]LY354740, in rat brain. Mol Pharmacol 53:228-233) at room temperature with slight modifications. ChEMBL. No reference

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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