Detailed information for compound 431986

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 209.247 | Formula: C13H11N3
  • H donors: 1 H acceptors: 2 LogP: 2.81 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(n1)[nH]c(n2)c1ccccc1
  • InChi: 1S/C13H11N3/c1-9-7-8-11-13(14-9)16-12(15-11)10-5-3-2-4-6-10/h2-8H,1H3,(H,14,15,16)
  • InChiKey: OZGGWNLOCZYTMP-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Metabotropic glutamate receptor 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis metabotropic glutamate receptor 5 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
Loa Loa (eye worm) hypothetical protein 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
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 japonicum Metabotropic glutamate receptor precursor, putative 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 mansoni metabotropic glutamate receptor 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
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 2 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
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0047 0.0758 1
Toxoplasma gondii aminopeptidase N, putative 0.0324 1 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0047 0.0758 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0047 0.0758 0.2129
Trypanosoma brucei Aminopeptidase M1, putative 0.0047 0.0758 1
Toxoplasma gondii aminopeptidase n, putative 0.0324 1 0.5
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0047 0.0758 0.7326
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0047 0.0758 0.2129
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0047 0.0758 0.2129
Trypanosoma brucei Aminopeptidase M1, putative 0.0047 0.0758 1
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0047 0.0758 0.2129
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0047 0.0758 0.2129
Brugia malayi hypothetical protein 0.0047 0.0758 0.2129
Echinococcus granulosus aminopeptidase N 0.0131 0.3559 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0047 0.0758 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.1979 0.7067
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0047 0.0758 0.2129
Schistosoma mansoni metabotropic glutamate receptor 0.0041 0.0546 0.5276
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0047 0.0758 0.2129
Brugia malayi Peptidase family M1 containing protein 0.0047 0.0758 0.2129
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0044 0.0657 0.1846
Loa Loa (eye worm) peptidase family M1 containing protein 0.0109 0.2801 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0056 0.1034 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1188 0.424
Loa Loa (eye worm) glutamate receptor 0.0049 0.0811 0.2894
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0047 0.0758 0.2129
Entamoeba histolytica aminopeptidase, putative 0.0047 0.0758 0.5
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0324 1 1
Echinococcus multilocularis aminopeptidase N 0.0131 0.3559 1
Toxoplasma gondii aminopeptidase N protein 0.0324 1 0.5
Onchocerca volvulus 0.0131 0.3559 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.0047 0.0758 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.006 0.1188 0.3337
Echinococcus granulosus metabotropic glutamate receptor 2 0.0041 0.0546 0.1533
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0047 0.0758 1
Trypanosoma cruzi aminopeptidase, putative 0.0047 0.0758 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0049 0.0811 0.2278
Brugia malayi Peptidase family M1 containing protein 0.0131 0.3559 1
Onchocerca volvulus 0.0047 0.0758 0.2129
Mycobacterium ulcerans aminopeptidase N PepN 0.0047 0.0758 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.006 0.1188 0.3337
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0047 0.0758 0.2129
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0047 0.0758 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.2737 0.9772
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0047 0.0758 1
Loa Loa (eye worm) aminopeptidase N 0.0047 0.0758 0.2705
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0047 0.0758 0.7326
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0047 0.0758 0.2129
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0041 0.0546 0.1533

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) > 10 uM Displacement of [3H]MPEP from mGluR5 in rat brain membrane ChEMBL. 17446071
Ki (binding) > 10 uM Displacement of [3H]MPEP from mGluR5 in rat brain membrane ChEMBL. 17446071

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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