Detailed information for compound 1466726

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 460.45 | Formula: C26H19F3N4O
  • H donors: 1 H acceptors: 2 LogP: 4.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC(=Nc2c(N1)cc(c(c2)C)C(F)(F)F)c1cccc(c1)c1ccnc(c1)n1cccc1
  • InChi: 1S/C26H19F3N4O/c1-16-11-22-23(14-20(16)26(27,28)29)32-25(34)15-21(31-22)19-6-4-5-17(12-19)18-7-8-30-24(13-18)33-9-2-3-10-33/h2-14H,15H2,1H3,(H,32,34)
  • InChiKey: RZTXVFIXUKTLLI-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 2 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
Loa Loa (eye worm) hypothetical protein 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 multilocularis metabotropic glutamate receptor 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
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 hypothetical protein 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 ko:K04606 glutamate receptor, metabotropic 3, 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

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni metabotropic glutamate receptor Metabotropic glutamate receptor 2   872 aa 892 aa 26.9 %
Loa Loa (eye worm) hypothetical protein Metabotropic glutamate receptor 2   872 aa 822 aa 21.2 %
Onchocerca volvulus Cell death abnormality protein 8 homolog Metabotropic glutamate receptor 2   872 aa 883 aa 43.3 %
Onchocerca volvulus Golgi-associated plant pathogenesis-related protein 1 homolog Metabotropic glutamate receptor 2   872 aa 884 aa 35.3 %
Onchocerca volvulus Metabotropic glutamate receptor 2   872 aa 774 aa 20.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei endonuclease G, putative 0.0067 0.1756 0.5
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0111 0.3869 0.3869
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0067 0.1756 0.5
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0067 0.1756 0.5
Loa Loa (eye worm) hypothetical protein 0.0111 0.3869 0.279
Brugia malayi Metabotropic glutamate receptor precursor. 0.0061 0.1496 0.1496
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0111 0.3869 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0055 0.1222 0.1222
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0093 0.3036 0.7076
Trypanosoma cruzi endonuclease G, putative 0.0067 0.1756 0.5
Schistosoma mansoni hypothetical protein 0.0239 1 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0069 0.1896 0.1896
Echinococcus granulosus Endonuclease G 0.0067 0.1756 0.2577
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0067 0.1756 0.5
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0111 0.3869 0.3869
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0093 0.3036 0.7076
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0111 0.3869 1
Echinococcus multilocularis ectonucleotide 0.0093 0.3036 0.7076
Leishmania major endonuclease G, putative 0.0067 0.1756 0.5
Trypanosoma cruzi endonuclease G, putative 0.0067 0.1756 0.5
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0239 1 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0111 0.3869 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0111 0.3869 1
Onchocerca volvulus 0.0239 1 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0111 0.3869 0.3869
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0111 0.3869 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0111 0.3869 1
Loa Loa (eye worm) hypothetical protein 0.0111 0.3869 0.279
Brugia malayi endonuclease G, mitochondrial precursor 0.0067 0.1756 0.1756
Echinococcus granulosus metabotropic glutamate receptor 5 0.0075 0.2171 0.4035
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0111 0.3869 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0111 0.3869 0.3869
Echinococcus granulosus ectonucleotide 0.0093 0.3036 0.7076
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0111 0.3869 1
Trypanosoma brucei endonuclease G, putative 0.0067 0.1756 0.5
Loa Loa (eye worm) hypothetical protein 0.0093 0.3036 0.1811
Loa Loa (eye worm) hypothetical protein 0.0111 0.3869 0.279
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0111 0.3869 1
Trypanosoma brucei endonuclease G, putative 0.0067 0.1756 0.5
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0067 0.1756 0.5
Schistosoma mansoni metabotropic glutamate receptor 0.0051 0.1023 0.1023
Echinococcus multilocularis Endonuclease G 0.0067 0.1756 0.2577
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0111 0.3869 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0075 0.2171 0.4035
Schistosoma mansoni endonuclease related 0.0067 0.1756 0.1756
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0111 0.3869 0.3869
Loa Loa (eye worm) hypothetical protein 0.0075 0.2171 0.0793
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0111 0.3869 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.059 uM Partial displacement of [3H]LY354740 from recombinant rat mGluR2 ChEMBL. 20971004

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

No literature references available for this target.

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