Detailed information for compound 1519322

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 309.405 | Formula: C19H23N3O
  • H donors: 0 H acceptors: 3 LogP: 3.72 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cnc2c(n1)cccc2)N1CCCC2(C1)CCCCC2
  • InChi: 1S/C19H23N3O/c23-18(17-13-20-15-7-2-3-8-16(15)21-17)22-12-6-11-19(14-22)9-4-1-5-10-19/h2-3,7-8,13H,1,4-6,9-12,14H2
  • InChiKey: ZJDYQLOLXCNEQG-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
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
Echinococcus granulosus metabotropic glutamate receptor 5 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
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 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 2 3 (mglur group 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
Echinococcus multilocularis metabotropic glutamate receptor 2 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
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 ko:K04606 glutamate receptor, metabotropic 3, putative Get druggable targets OG5_127095 All targets in OG5_127095
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

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
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0029 0.0151 0.0424
Loa Loa (eye worm) hypothetical protein 0.0026 0.0102 0.0102
Loa Loa (eye worm) hypothetical protein 0.0029 0.0151 0.0151
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0041 0.0351 0.1144
Schistosoma mansoni coup transcription factor 0.0054 0.0564 0.191
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0054 0.0564 0.0532
Echinococcus multilocularis ecdysone induced protein 78C 0.0054 0.0564 0.191
Echinococcus granulosus jun protein 0.0093 0.1188 0.5041
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0054 0.0564 0.2316
Brugia malayi hypothetical protein 0.0029 0.0151 0.0118
Loa Loa (eye worm) hypothetical protein 0.0054 0.0564 0.0564
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0026 0.0102 0.0246
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0054 0.0564 0.191
Brugia malayi Nuclear hormone receptor-like 1 0.0029 0.0151 0.0118
Brugia malayi MH2 domain containing protein 0.0132 0.182 0.1793
Loa Loa (eye worm) hypothetical protein 0.009 0.1147 0.1147
Schistosoma mansoni nuclear receptor 0.0026 0.0102 0.0246
Onchocerca volvulus 0.0073 0.0866 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0033 0.5
Schistosoma mansoni thyroid hormone receptor 0.0193 0.2811 1
Schistosoma mansoni hypothetical protein 0.0075 0.0907 0.3145
Schistosoma mansoni nuclear receptor 0.0026 0.0102 0.0246
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0093 0.1188 0.4156
Leishmania major DNA polymerase kappa, putative 0.0021 0.0033 0.5
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0026 0.0102 0.0246
Leishmania major DNA polymerase eta, putative 0.0021 0.0033 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0054 0.0564 0.0564
Loa Loa (eye worm) hypothetical protein 0.0054 0.0564 0.0564
Brugia malayi orphan nuclear receptor NR2E1 0.0026 0.0102 0.0068
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0139 0.1936 0.685
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0054 0.0564 0.0532
Entamoeba histolytica hypothetical protein 0.004 0.0331 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0054 0.0564 0.0532
Trypanosoma brucei unspecified product 0.0021 0.0033 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0054 0.0564 0.0532
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0081 0.1004 0.3492
Brugia malayi nuclear hormone receptor family member odr-7 0.0026 0.0102 0.0068
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0054 0.0564 0.0532
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0026 0.0102 0.0102
Brugia malayi hypothetical protein 0.0073 0.0866 0.0835
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0026 0.0102 0.0298
Brugia malayi ecdysteroid receptor 0.0054 0.0564 0.0532
Loa Loa (eye worm) hypothetical protein 0.0054 0.0564 0.0564
Loa Loa (eye worm) hypothetical protein 0.0026 0.0102 0.0102
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0033 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0026 0.0102 0.0246
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0054 0.0564 0.191
Schistosoma mansoni jun-related protein 0.0075 0.0907 0.3145
Loa Loa (eye worm) hypothetical protein 0.0026 0.0102 0.0102
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0054 0.0564 0.191
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0026 0.0102 0.0246
Echinococcus granulosus metabotropic glutamate receptor 2 0.0041 0.0351 0.1387
Onchocerca volvulus Protein ultraspiracle homolog 0.0054 0.0564 0.6047
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0163 0.2324 1
Loa Loa (eye worm) hypothetical protein 0.0638 1 1
Schistosoma mansoni metabotropic glutamate receptor 0.0024 0.0074 0.0147
Loa Loa (eye worm) hypothetical protein 0.0026 0.0102 0.0102
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0029 0.0151 0.0424
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0033 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0054 0.0564 0.191
Brugia malayi nuclear receptor NHR-67 0.0026 0.0102 0.0068
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0054 0.0564 0.191
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0044 0.0405 0.0373
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0054 0.0564 0.0564
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0026 0.0102 0.0246
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0033 0.5
Brugia malayi hypothetical protein 0.0029 0.0151 0.0118
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.182 0.182
Brugia malayi metabotropic glutamate receptor type 2 0.0024 0.0074 0.0041
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0033 0.5
Brugia malayi nuclear receptor NHR-88 0.0026 0.0102 0.0068
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0054 0.0564 0.0564
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0033 0.5
Brugia malayi hypothetical protein 0.0026 0.0102 0.0068
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0029 0.0151 0.0151
Brugia malayi Steroid receptor seven-up type 2 0.0054 0.0564 0.0532
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0033 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0054 0.0564 0.2316
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0054 0.0564 0.0564
Schistosoma mansoni retinoic acid receptor RXR 0.0163 0.2324 0.8245
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0033 0.5
Brugia malayi nuclear receptor RXR 0.0026 0.0102 0.0068
Brugia malayi conserved hypotetical protein 0.0026 0.0102 0.0068
Schistosoma mansoni thyroid hormone receptor 0.0193 0.2811 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0054 0.0564 0.191
Echinococcus granulosus thyroid hormone receptor alpha 0.0026 0.0102 0.0298
Echinococcus granulosus metabotropic glutamate receptor 5 0.006 0.0662 0.2745
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0054 0.0564 0.0564
Loa Loa (eye worm) nuclear receptor NHR-67 0.0026 0.0102 0.0102
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0033 0.5
Schistosoma mansoni metabotropic glutamate receptor 0.0041 0.0351 0.1144
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0054 0.0564 0.191
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0054 0.0564 0.2316
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0093 0.1188 0.5041
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0134 0.1862 0.6581
Echinococcus granulosus nuclear receptor nhr 48 0.0026 0.0102 0.0298
Entamoeba histolytica hypothetical protein 0.004 0.0331 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0054 0.0564 0.191
Echinococcus multilocularis jun protein 0.0093 0.1188 0.4156
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0033 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0033 0.5
Echinococcus granulosus Nuclear hormone receptor HR96 0.0026 0.0102 0.0298
Loa Loa (eye worm) hypothetical protein 0.0026 0.0102 0.0102
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0029 0.0151 0.0424
Schistosoma mansoni zinc finger protein 0.0026 0.0102 0.0246
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0054 0.0564 0.2316
Entamoeba histolytica hypothetical protein 0.004 0.0331 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0054 0.0564 0.0532
Loa Loa (eye worm) hypothetical protein 0.0054 0.0564 0.0564
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0033 0.5
Giardia lamblia DINP protein human, muc B family 0.0021 0.0033 0.5
Loa Loa (eye worm) glutamate receptor 0.0049 0.048 0.048
Loa Loa (eye worm) hypothetical protein 0.0054 0.0564 0.0564
Loa Loa (eye worm) hypothetical protein 0.0021 0.0033 0.0033
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0033 0.5
Schistosoma mansoni nuclear hormone receptor 0.0026 0.0102 0.0246
Brugia malayi Nuclear hormone receptor E75 0.0026 0.0102 0.0068
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0033 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0564 0.0564
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0054 0.0564 0.2316
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0033 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0102 0.0102
Schistosoma mansoni nuclear receptor nhr-48 0.0026 0.0102 0.0246
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0033 0.0033
Echinococcus granulosus FTZ F1 alpha 0.0054 0.0564 0.2316
Echinococcus granulosus Nuclear hormone receptor HR96 0.0026 0.0102 0.0298
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0054 0.0564 0.6047
Schistosoma mansoni hypothetical protein 0.0139 0.1936 0.685
Brugia malayi hypothetical protein 0.0026 0.0102 0.0068
Onchocerca volvulus 0.0054 0.0564 0.6047
Loa Loa (eye worm) hypothetical protein 0.0029 0.0151 0.0151
Brugia malayi nuclear receptor NHR-88 0.0054 0.0564 0.0532
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0054 0.0564 0.0532
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0054 0.0564 0.191
Loa Loa (eye worm) nuclear hormone receptor 0.0026 0.0102 0.0102
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0331 0.1072
Echinococcus granulosus ecdysone induced protein 78C 0.0054 0.0564 0.2316
Echinococcus granulosus nuclear factor of activated T cells 5 0.0081 0.1004 0.4236
Loa Loa (eye worm) hypothetical protein 0.0026 0.0102 0.0102
Brugia malayi hypothetical protein 0.004 0.0331 0.0299
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0033 0.5
Brugia malayi ecdysone receptor 0.0026 0.0102 0.0068
Loa Loa (eye worm) hypothetical protein 0.0054 0.0564 0.0564
Loa Loa (eye worm) hypothetical protein 0.0026 0.0102 0.0102
Echinococcus multilocularis FTZ F1 alpha 0.0054 0.0564 0.191
Brugia malayi Nuclear hormone receptor-like 1 0.0029 0.0151 0.0118
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0331 0.13
Onchocerca volvulus Bile acid receptor homolog 0.0054 0.0564 0.6047
Brugia malayi bZIP transcription factor family protein 0.0093 0.1188 0.1158
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0054 0.0564 0.0564
Trypanosoma cruzi DNA polymerase eta, putative 0.0021 0.0033 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0033 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0054 0.0564 0.0532
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0054 0.0564 0.0532
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0054 0.0564 0.0532
Brugia malayi Metabotropic glutamate receptor precursor. 0.0049 0.048 0.0448
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0054 0.0564 0.191
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0026 0.0102 0.0246
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0054 0.0564 0.0564
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0029 0.0151 0.0514
Loa Loa (eye worm) hypothetical protein 0.0029 0.0151 0.0151
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0054 0.0564 0.191
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0033 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0102 0.0102
Brugia malayi nuclear hormone receptor 0.0026 0.0102 0.0068
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0054 0.0564 0.191
Brugia malayi Nuclear hormone receptor E75 0.0026 0.0102 0.0068
Schistosoma mansoni nuclear hormone receptor 0.0026 0.0102 0.0246
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0054 0.0564 0.0564
Loa Loa (eye worm) hypothetical protein 0.0026 0.0102 0.0102
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0056 0.0588 0.1996
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0054 0.0564 0.2316
Loa Loa (eye worm) hypothetical protein 0.0026 0.0102 0.0102
Entamoeba histolytica hypothetical protein 0.004 0.0331 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0054 0.0564 0.0532
Loa Loa (eye worm) hypothetical protein 0.0029 0.0151 0.0151
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0026 0.0102 0.0068
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0331 0.1072
Brugia malayi nuclear hormone receptor 0.0054 0.0564 0.0532
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0054 0.0564 0.0532
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0054 0.0564 0.191
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.182 0.182
Echinococcus multilocularis thyroid hormone receptor alpha 0.0193 0.2811 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0662 0.0662
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0054 0.0564 0.0532
Loa Loa (eye worm) hypothetical protein 0.0029 0.0151 0.0151
Schistosoma mansoni hypothetical protein 0.004 0.0331 0.1072
Brugia malayi tailless protein 0.0026 0.0102 0.0068
Loa Loa (eye worm) hypothetical protein 0.0026 0.0102 0.0102
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0033 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0564 0.0564
Echinococcus multilocularis nuclear receptor nhr 48 0.0026 0.0102 0.0246
Brugia malayi nuclear receptor RXR 0.0029 0.0151 0.0118
Loa Loa (eye worm) DR-78 0.0026 0.0102 0.0102
Schistosoma mansoni RAR-like nuclear receptor 0.0054 0.0564 0.191
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0054 0.0564 0.0532
Loa Loa (eye worm) hypothetical protein 0.0026 0.0102 0.0102
Brugia malayi steroid hormone receptor 0.0054 0.0564 0.0532
Brugia malayi nuclear hormone receptor family member nhr-6 0.0026 0.0102 0.0068
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0033 0.5
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0026 0.0102 0.0298
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0033 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0033 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0021 0.0033 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0033 0.5
Echinococcus multilocularis metabotropic glutamate receptor 5 0.006 0.0662 0.2264
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0139 0.1936 0.8308
Schistosoma mansoni nuclear hormone receptor 0.0054 0.0564 0.191
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0033 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0054 0.0564 0.0532

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 2.39 % Non-competitive antagonist activity at mGluR5 at 30 uM relative to glutamate ChEMBL. 19443219
IC50 (functional) = 5.02 uM Non-competitive antagonist activity at mGluR5 ChEMBL. 19443219

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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