Detailed information for compound 352067

Basic information

Technical information
  • TDR Targets ID: 352067
  • Name: 4-[2-(6-ethynylpyridin-3-yl)ethynyl]-2-methyl -1,3-thiazole
  • MW: 224.281 | Formula: C13H8N2S
  • H donors: 0 H acceptors: 2 LogP: 2.62 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#Cc1ccc(cn1)C#Cc1csc(n1)C
  • InChi: 1S/C13H8N2S/c1-3-12-6-4-11(8-14-12)5-7-13-9-16-10(2)15-13/h1,4,6,8-9H,2H3
  • InChiKey: IJVLKBYSNPSSMM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[2-(6-ethynyl-3-pyridyl)ethynyl]-2-methyl-thiazole
  • 4-[2-(6-ethynyl-3-pyridyl)ethynyl]-2-methylthiazole
  • 2-ethynyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine
  • 2-ethynyl-5-[2-(2-methylthiazol-4-yl)ethynyl]pyridine
  • 2-ethynyl-5-[2-(2-methyl-4-thiazolyl)ethynyl]pyridine

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
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 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
Echinococcus multilocularis metabotropic glutamate receptor 2 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
Brugia malayi Metabotropic glutamate receptor precursor. 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
Schistosoma japonicum ko:K04606 glutamate receptor, metabotropic 3, putative 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 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
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
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Loa Loa (eye worm) glutamate receptor 0.0049 0.7647 0.7647
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0056 0.9042 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.1052 0.139
Loa Loa (eye worm) hypothetical protein 0.0017 0.1052 0.1052
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.2266 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.2266 0.5
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0041 0.5994 0.5953
Echinococcus granulosus intermediate filament protein 0.0026 0.2927 0.2855
Schistosoma mansoni intermediate filament proteins 0.0026 0.2927 0.0756
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.2266 0.5
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.2266 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.1052 0.1052
Loa Loa (eye worm) hypothetical protein 0.0017 0.1052 0.1052
Loa Loa (eye worm) hypothetical protein 0.0026 0.2827 0.2827
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.1052 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.2266 0.2266
Echinococcus multilocularis lamin 0.0026 0.2927 0.2855
Mycobacterium ulcerans hypothetical protein 0.0023 0.2266 1
Onchocerca volvulus 0.0026 0.2927 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.2266 0.5
Echinococcus granulosus lamin 0.0026 0.2927 0.2855
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.2266 1
Onchocerca volvulus 0.0026 0.2927 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.2266 0.2895
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0044 0.6689 0.8736
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.1052 0.5
Echinococcus multilocularis metabotropic glutamate receptor 5 0.006 1 1
Brugia malayi intermediate filament protein 0.0026 0.2927 0.3767
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.2266 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.039 0.039
Loa Loa (eye worm) hypothetical protein 0.0026 0.2927 0.2927
Echinococcus multilocularis lamin dm0 0.0026 0.2927 0.2855
Schistosoma mansoni metabotropic glutamate receptor 0.0041 0.5994 0.5392
Loa Loa (eye worm) hypothetical protein 0.0017 0.1052 0.1052
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.2927 0.2927
Schistosoma mansoni hypothetical protein 0.005 0.7941 0.8335
Echinococcus multilocularis musashi 0.0026 0.2927 0.2855
Loa Loa (eye worm) hypothetical protein 0.0023 0.2266 0.2266
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.2266 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0074 0.0074
Loa Loa (eye worm) hypothetical protein 0.0017 0.1052 0.1052
Loa Loa (eye worm) hypothetical protein 0.0013 0.01 0.01
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.2266 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.2266 1
Schistosoma mansoni lamin 0.0026 0.2927 0.0756
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.2266 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.2266 0.5
Loa Loa (eye worm) intermediate filament protein 0.0026 0.2927 0.2927
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0013 0.0074 0.0074
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.2266 0.5
Echinococcus granulosus metabotropic glutamate receptor 2 0.0041 0.5994 0.5953
Brugia malayi metabotropic glutamate receptor type 2 0.0024 0.2427 0.3107
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0013 0.0074 0.0074
Brugia malayi Metabotropic glutamate receptor precursor. 0.0049 0.7647 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.2266 0.5
Brugia malayi AMP-binding enzyme family protein 0.0023 0.2266 0.2895
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.039 0.0418
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.2266 0.5
Loa Loa (eye worm) glutamate receptor 0.0019 0.1469 0.1469
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.2927 0.3767
Schistosoma mansoni lamin 0.0026 0.2927 0.0756
Brugia malayi AMP-binding enzyme family protein 0.0023 0.2266 0.2895
Loa Loa (eye worm) hypothetical protein 0.0023 0.2266 0.2266
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.1052 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.2266 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.2266 1
Echinococcus granulosus lamin dm0 0.0026 0.2927 0.2855

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2950 nM Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a ChEMBL. 16451073
IC50 (functional) = 2950 nM Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a ChEMBL. 16451073

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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