Detailed information for compound 1039499

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 304.386 | Formula: C20H20N2O
  • H donors: 1 H acceptors: 2 LogP: 4 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(nc1)C#Cc1ccccc1)NC1CCCCC1
  • InChi: 1S/C20H20N2O/c23-20(22-19-9-5-2-6-10-19)17-12-14-18(21-15-17)13-11-16-7-3-1-4-8-16/h1,3-4,7-8,12,14-15,19H,2,5-6,9-10H2,(H,22,23)
  • InChiKey: UVQBVTGQRSXVAW-UHFFFAOYSA-N  


Substructure search Similarity search

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
Schistosoma japonicum Metabotropic glutamate receptor precursor, putative 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
Loa Loa (eye worm) 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 japonicum ko:K04606 glutamate receptor, metabotropic 3, 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 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 mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 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 multilocularis 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
Brugia malayi Metabotropic glutamate receptor precursor. 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 photoreceptor-specific nuclear receptor related 0.0012 0.0027 0.1255
Plasmodium falciparum telomerase reverse transcriptase 0.0634 0.2714 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0027 0.0037
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0634 0.2714 1
Mycobacterium tuberculosis Probable DNA polymerase I PolA 0.0094 0.0382 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0027 0.043
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0027 0.0037
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0027 0.0037
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0032 0.0094
Brugia malayi DNA polymerase I family protein 0.0027 0.0093 0.0129
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0027 0.1255
Plasmodium vivax 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.0067 0.0264 0.0952
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0044 0.0167 0.023
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0027 0.0037
Onchocerca volvulus Poor gastrulation protein homolog 0.0008 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.043
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0027 0.0077
Schistosoma mansoni DNA helicase recq5 0.001 0.0019 0.0891
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.001 0.0019 0.0047
Brugia malayi Muscleblind-like protein 0.0152 0.0631 0.0868
Mycobacterium ulcerans 5'-3' exonuclease 0.0067 0.0264 0.6319
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0823 0.3531 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0046
Schistosoma mansoni ap endonuclease 0.002 0.0062 0.2892
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0062 0.0086
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0027 0.043
Brugia malayi Telomerase reverse transcriptase 0.1686 0.7262 1
Brugia malayi DNA polymerase I family protein 0.0007 0.0007 0.0009
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0062 0.0207
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0062 0.0207
Plasmodium falciparum plastid replication-repair enzyme 0.0027 0.0094 0.0325
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.043
Loa Loa (eye worm) glutamate receptor 0.0049 0.0187 0.2966
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0003 0.0046
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0027 0.1255
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0027 0.043
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.0067 0.0264 0.0952
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0027 0.1255
Echinococcus multilocularis GPCR, family 3, C terminal 0.0008 0.001 0.0029
Loa Loa (eye worm) RecQ helicase 0.0024 0.0081 0.1285
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0008 0.001 0.001
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0027 0.0077
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.0047 0.0149
Toxoplasma gondii helicase, putative 0.0027 0.0094 0.0279
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0027 0.0077
Mycobacterium leprae PROBABLE DNA POLYMERASE I POLA 0.0094 0.0382 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0062 0.0207
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0027 0.043
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0027 0.1255
Echinococcus granulosus DNA polymerase subunit gamma 0.0007 0.0007 0.0104
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0027 0.1255
Brugia malayi steroid hormone receptor 0.0012 0.0027 0.0037
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0062 0.4961
Entamoeba histolytica DNA-directed DNA polymerase, putative 0.0027 0.0093 1
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0013 0.003 0.0475
Loa Loa (eye worm) hypothetical protein 0.0013 0.003 0.0475
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.0081 0.7988
Brugia malayi hypothetical protein 0.0006 0.0003 0.0004
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0046
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0027 0.0077
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0062 0.099
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0027 0.0037
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0046 0.01
Brugia malayi hypothetical protein 0.0006 0.0003 0.0004
Echinococcus granulosus metabotropic glutamate receptor 2 0.0041 0.0153 0.2422
Trypanosoma brucei mitochondrial DNA polymerase I protein A, putative 0.0027 0.0093 0.0321
Echinococcus granulosus GPCR family 3 C terminal 0.0008 0.001 0.016
Schistosoma mansoni metabotropic glutamate receptor 0.0041 0.0153 0.7072
Onchocerca volvulus 0.0012 0.0027 0.0027
Onchocerca volvulus Twinkle protein, mitochondrial homolog 0.002 0.0063 0.0063
Trypanosoma brucei mitochondrial structure specific endonuclease I (SSE-1), putative 0.0067 0.0264 0.0952
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0046
Mycobacterium tuberculosis Probable 5'-3' exonuclease 0.0067 0.0264 0.6319
Loa Loa (eye worm) hypothetical protein 0.001 0.0019 0.0305
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0027 0.0077
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0027 0.0077
Loa Loa (eye worm) hypothetical protein 0.006 0.0236 0.374
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0027 0.043
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0062 0.099
Schistosoma mansoni hypothetical protein 0.002 0.0063 0.2899
Leishmania major mitochondrial structure specific endonuclease I (SSE-1), putative 0.0067 0.0264 0.0952
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0027 0.0037
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0062 0.0177
Leishmania major mitochondrial DNA polymerase I protein A, putative 0.0027 0.0093 0.0321
Echinococcus multilocularis metabotropic glutamate receptor 5 0.006 0.0236 0.0668
Loa Loa (eye worm) glutamate receptor 0.0019 0.0059 0.0934
Loa Loa (eye worm) hypothetical protein 0.0152 0.0631 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.001 0.0019 0.0305
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0027 0.0027
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0027 0.0037
Schistosoma mansoni DNA helicase recq1 0.001 0.0019 0.0891
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0003 0.0134
Echinococcus multilocularis bloom syndrome protein 0.0024 0.0081 0.023
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0041 0.0153 0.0433
Brugia malayi nuclear receptor NHR-88 0.0012 0.0027 0.0037
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0027 0.0077
Trypanosoma cruzi mitochondrial DNA polymerase I protein A, putative 0.0027 0.0093 0.0321
Echinococcus granulosus DNA polymerase theta 0.0007 0.0007 0.0104
Mycobacterium ulcerans DNA polymerase I 0.0094 0.0382 1
Brugia malayi Receptor family ligand binding region containing protein 0.0013 0.003 0.0041
Echinococcus multilocularis hypothetical protein 0.0007 0.0007 0.0019
Schistosoma mansoni DNA polymerase gamma 0.0007 0.0007 0.0304
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0027 0.0037
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0027 0.043
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0027 0.0037
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0027 0.043
Leishmania major telomerase reverse transcriptase, putative 0.0634 0.2714 1
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0032 0.0094
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.043
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0634 0.2714 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.001 0.0019 0.0305
Plasmodium vivax telomerase reverse transcriptase, putative 0.0634 0.2714 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.001 0.016
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0027 0.1255
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.043
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0027 0.0037
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.0081 0.0112
Echinococcus granulosus bloom syndrome protein 0.0024 0.0081 0.1285
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0027 0.1255
Treponema pallidum DNA polymerase I (polA) 0.0094 0.0383 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.006 0.0236 0.374
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0027 0.0037
Toxoplasma gondii RNA-directed DNA polymerase 0.0634 0.2714 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.001 0.0019 0.0054
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0027 0.043
Schistosoma mansoni metabotropic glutamate receptor 0.0024 0.0079 0.3646
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0027 0.1255
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0013 0.003 0.0475
Plasmodium falciparum 5'-3' exonuclease, N-terminal resolvase-like domain, putative 0.0067 0.0264 0.0952
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0027 0.043
Trypanosoma brucei mitochondrial DNA polymerase I protein D, putative 0.0007 0.0008 0.0004
Trypanosoma brucei telomerase reverse transcriptase 0.0634 0.2714 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0062 0.016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0027 0.043
Trypanosoma brucei mitochondrial DNA polymerase I protein A, putative 0.0027 0.0093 0.0321
Brugia malayi nuclear receptor RXR 0.0006 0.0003 0.0004
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0003 0.0134
Loa Loa (eye worm) hypothetical protein 0.0123 0.0506 0.8016
Schistosoma mansoni hypothetical protein 0.0008 0.001 0.0467
Brugia malayi ecdysteroid receptor 0.0012 0.0027 0.0037
Plasmodium vivax plastid replication-repair enzyme, putative 0.0027 0.0094 0.0325
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0003 0.0046
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.043
Loa Loa (eye worm) twinkle helicase 0.002 0.0063 0.0993
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0027 0.0037
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0027 0.043
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.0068 0.0228
Toxoplasma gondii DNA polymerase I domain-containing protein 0.0027 0.0093 0.0275
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0027 0.0037
Loa Loa (eye worm) hypothetical protein 0.0007 0.0007 0.0104
Schistosoma mansoni ap endonuclease 0.002 0.0062 0.2892
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0062 0.4961
Schistosoma mansoni DNA polymerase I 0.0027 0.0093 0.4323
Echinococcus granulosus ATP dependent DNA helicase Q5 0.001 0.0019 0.0305
Schistosoma mansoni hypothetical protein 0.002 0.0063 0.2899
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.043
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0019 0.0026
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0062 0.4961
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0027 0.0037
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0046
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.043
Echinococcus granulosus twinkle protein mitochondrial 0.002 0.0063 0.0993
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0027 0.0027
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0027 0.043
Loa Loa (eye worm) hypothetical protein 0.0012 0.0027 0.043
Loa Loa (eye worm) hypothetical protein 0.0152 0.0631 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0027 0.0077
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0027 0.0037
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.001 0.0019 0.0054
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0019 0.00000000007343
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0027 0.043
Loa Loa (eye worm) hypothetical protein 0.0027 0.0093 0.1481
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0003 0.0004
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0062 0.0207
Wolbachia endosymbiont of Brugia malayi DNA polymerase I 0.0094 0.0382 1
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0008 0.001 0.0014
Echinococcus multilocularis DNA polymerase theta 0.0007 0.0007 0.0019
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0027 0.1255
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.001 0.0019 0.0026
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0059 0.2727
Echinococcus multilocularis muscleblind protein 0.0152 0.0631 0.1786
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0027 0.1255
Giardia lamblia Telomerase catalytic subunit 0.0634 0.2714 1
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0027 0.043
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0056 0.0216 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0049 0.0187 0.0258
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0003 0.0008
Loa Loa (eye worm) hypothetical protein 0.0006 0.0003 0.0046
Echinococcus multilocularis twinkle protein, mitochondrial 0.002 0.0063 0.0177
Brugia malayi nuclear hormone receptor 0.0012 0.0027 0.0037
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0062 0.0207
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0062 0.0207
Trichomonas vaginalis DNA polymerase I, putative 0.0027 0.0093 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.0032 0.0094
Brugia malayi metabotropic glutamate receptor type 2 0.0024 0.0079 0.0108
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0027 0.0037
Toxoplasma gondii 5'-3' exonuclease, N-terminal resolvase family domain-containing protein 0.0033 0.0117 0.0363
Schistosoma mansoni coup transcription factor 0.0012 0.0027 0.1255
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0027 0.043
Trypanosoma cruzi mitochondrial DNA polymerase I protein A, putative 0.0027 0.0093 0.0321
Echinococcus granulosus muscleblind protein 0.0152 0.0631 1
Toxoplasma gondii exonuclease III APE 0.002 0.0062 0.016
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0027 0.0027
Trypanosoma cruzi mitochondrial structure specific endonuclease I (SSE-1), putative 0.0067 0.0264 0.0952
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0027 0.043
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0027 0.1255
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0003 0.0004
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0027 0.043
Chlamydia trachomatis DNA polymerase I 0.0094 0.0382 0.5
Echinococcus multilocularis muscleblind protein 1 0.0152 0.0631 0.1786
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.0081 0.7988
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0027 0.0077

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.24 uM Agonist activity at human mGluR5 transiently transfected in BHK cells assessed as potentiation of L-glutamate-induced calcium flux by FLIPR assay ChEMBL. 19443216

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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