Detailed information for compound 1090645

Basic information

Technical information
  • TDR Targets ID: 1090645
  • Name: [6-[(6-methylpyridin-3-yl)amino]pyridin-3-yl] -piperidin-1-ylmethanone
  • MW: 296.367 | Formula: C17H20N4O
  • H donors: 1 H acceptors: 3 LogP: 2.36 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cn1)Nc1ccc(cn1)C(=O)N1CCCCC1
  • InChi: 1S/C17H20N4O/c1-13-5-7-15(12-18-13)20-16-8-6-14(11-19-16)17(22)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,20)
  • InChiKey: QRVCWZSQSJQWPT-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • [6-[(6-methyl-3-pyridyl)amino]-3-pyridyl]-(1-piperidyl)methanone
  • [6-[(6-methyl-3-pyridyl)amino]-3-pyridyl]-piperidino-methanone
  • [6-[(6-methylpyridin-3-yl)amino]pyridin-3-yl]-piperidin-1-yl-methanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutamate receptor, metabotropic 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus granulosus metabotropic glutamate receptor 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
Echinococcus multilocularis metabotropic glutamate receptor 5 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
Loa Loa (eye worm) glutamate receptor 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
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
Schistosoma mansoni metabotropic glutamate receptor 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
Echinococcus granulosus 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
Schistosoma mansoni hypothetical protein 0.0036 0.416 0.468
Schistosoma mansoni metabotropic glutamate receptor 0.0041 0.5349 0.6018
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0 0.5
Brugia malayi hypothetical protein 0.0036 0.416 0.5723
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.416 0.468
Entamoeba histolytica hypothetical protein 0.0036 0.416 1
Brugia malayi metabotropic glutamate receptor type 2 0.0024 0.1207 0.1661
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0044 0.6156 0.847
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.416 0.416
Loa Loa (eye worm) glutamate receptor 0.0049 0.7268 0.7268
Echinococcus multilocularis metabotropic glutamate receptor 5 0.006 1 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0041 0.5349 0.5349
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0 0.5
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0056 0.8888 1
Toxoplasma gondii exonuclease III APE 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0 0.5
Echinococcus granulosus metabotropic glutamate receptor 2 0.0041 0.5349 0.5349
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.416 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0049 0.7268 1
Schistosoma mansoni metabotropic glutamate receptor 0.0024 0.1207 0.1358
Trichomonas vaginalis ap endonuclease, putative 0.0019 0 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.416 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.416 0.416
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0 0.5
Loa Loa (eye worm) glutamate receptor 0.0019 0.0095 0.0095
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0 0.5
Entamoeba histolytica hypothetical protein 0.0036 0.416 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.42 uM Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration ChEMBL. 19931453

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.