Detailed information for compound 327374

Basic information

Technical information
  • TDR Targets ID: 327374
  • Name: 4-[3-fluoro-5-(5-pyridin-2-yltetrazol-2-yl)ph enyl]-3,5-dimethyl-1,2-oxazole
  • MW: 336.323 | Formula: C17H13FN6O
  • H donors: 0 H acceptors: 5 LogP: 3.38 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cc(cc(c1)c1c(C)noc1C)n1nnc(n1)c1ccccn1
  • InChi: 1S/C17H13FN6O/c1-10-16(11(2)25-22-10)12-7-13(18)9-14(8-12)24-21-17(20-23-24)15-5-3-4-6-19-15/h3-9H,1-2H3
  • InChiKey: MGZNSZXDBMFBNG-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[3-fluoro-5-[5-(2-pyridyl)tetrazol-2-yl]phenyl]-3,5-dimethyl-isoxazole
  • 4-[3-fluoro-5-[5-(2-pyridyl)-2-tetrazolyl]phenyl]-3,5-dimethylisoxazole
  • 4-[3-fluoro-5-(5-pyridin-2-yl-1,2,3,4-tetrazol-2-yl)phenyl]-3,5-dimethyl-1,2-oxazole
  • 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluorophenyl]tetrazol-5-yl]pyridine
  • 2-[2-[3-(3,5-dimethylisoxazol-4-yl)-5-fluoro-phenyl]tetrazol-5-yl]pyridine
  • 2-[2-[3-(3,5-dimethyl-4-isoxazolyl)-5-fluorophenyl]-5-tetrazolyl]pyridine
  • 2-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-fluoro-phenyl]-1,2,3,4-tetrazol-5-yl]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
Schistosoma japonicum Metabotropic glutamate receptor precursor, 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
Brugia malayi Metabotropic glutamate receptor precursor. Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum hypothetical protein 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 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
Echinococcus granulosus metabotropic glutamate receptor 5 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
Echinococcus multilocularis 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
Schistosoma mansoni metabotropic glutamate receptor 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) integrin beta-2 0.1316 1 1
Echinococcus granulosus integrin alpha ps 0.0138 0.0654 0.0851
Loa Loa (eye worm) hypothetical protein 0.02 0.1145 0.1113
Brugia malayi Integrin alpha pat-2 precursor 0.0642 0.4656 0.3965
Echinococcus multilocularis integrin alpha ps 0.0288 0.1844 0.2491
Loa Loa (eye worm) integrin alpha pat-2 0.099 0.7417 0.7407
Schistosoma mansoni integrin alpha-ps 0.0288 0.1844 0.3231
Schistosoma mansoni hypothetical protein 0.0138 0.0654 0.1146
Schistosoma mansoni integrin alpha 0.0642 0.4656 0.8159
Echinococcus multilocularis integrin beta 2 0.0975 0.7294 1
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0486 0.3415 0.2563
Loa Loa (eye worm) hypothetical protein 0.015 0.0749 0.0715
Echinococcus granulosus integrin alpha 3 0.0492 0.3467 0.4726
Echinococcus multilocularis integrin alpha ps 0.0138 0.0654 0.0851
Loa Loa (eye worm) hypothetical protein 0.0504 0.3561 0.3537
Loa Loa (eye worm) kelch domain-containing protein family protein 0.02 0.1145 0.1113
Echinococcus multilocularis integrin alpha 3 0.0492 0.3467 0.4726
Schistosoma mansoni integrin alpha-ps 0.015 0.0749 0.1312
Loa Loa (eye worm) hypothetical protein 0.0354 0.2371 0.2343
Echinococcus granulosus integrin beta 2 0.0975 0.7294 1
Echinococcus granulosus integrin alpha ps 0.0288 0.1844 0.2491
Schistosoma mansoni integrin beta subunit 0.0775 0.5707 1
Echinococcus multilocularis integrin alpha ps 0.0288 0.1844 0.2491
Loa Loa (eye worm) hypothetical protein 0.0486 0.3415 0.3391
Loa Loa (eye worm) hypothetical protein 0.0138 0.0654 0.062

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 28 nM In vitro antagonistic activity against Metabotropic glutamate receptor 5 in [Ca2+] flux assay ChEMBL. 15482909
IC50 (functional) = 28 nM In vitro antagonistic activity against Metabotropic glutamate receptor 5 in [Ca2+] flux assay ChEMBL. 15482909

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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