Detailed information for compound 1959250

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 325.297 | Formula: C16H12FN5O2
  • H donors: 1 H acceptors: 5 LogP: 1.56 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1nccc(c1)Oc1cncnc1)Nc1ncc(c(c1)C)F
  • InChi: 1S/C16H12FN5O2/c1-10-4-15(21-8-13(10)17)22-16(23)14-5-11(2-3-20-14)24-12-6-18-9-19-7-12/h2-9H,1H3,(H,21,22,23)
  • InChiKey: URYPAIGCTMSWFR-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 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Loa Loa (eye worm) glutamate receptor 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 japonicum Metabotropic glutamate receptor precursor, putative 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 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
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 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
Echinococcus granulosus metabotropic glutamate receptor 5 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 voltage gated potassium channel subunit 0.038 0.2765 0.2668
Trichomonas vaginalis aldo-keto reductase, putative 0.1313 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.1313 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1313 1 1
Onchocerca volvulus 0.1313 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1313 1 1
Leishmania major prostaglandin f synthase, putative 0.1313 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1313 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1313 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1313 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1313 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1313 1 1
Trypanosoma brucei prostaglandin f synthase 0.1313 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1313 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1313 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1313 1 1
Schistosoma mansoni potassium channel beta 0.038 0.2765 0.2765
Entamoeba histolytica aldose reductase, putative 0.1313 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1313 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1313 1 1
Onchocerca volvulus 0.1313 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.038 0.2765 0.2765
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1313 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.038 0.2765 0.2622
Leishmania major aldo-keto reductase-like protein 0.1313 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1313 1 1
Mycobacterium ulcerans oxidoreductase 0.1313 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.1313 1 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.006 0.0282 0.0151
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1313 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0282 0.0089
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1313 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1313 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1313 1 1
Onchocerca volvulus 0.1313 1 1
Entamoeba histolytica aldose reductase, putative 0.1313 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1313 1 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0056 0.0246 0.0246
Trypanosoma cruzi aldo-keto reductase 0.1313 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.1313 1 1
Onchocerca volvulus 0.1313 1 1
Echinococcus multilocularis aldo keto reductase 0.1313 1 1
Echinococcus multilocularis metabotropic glutamate receptor 5 0.006 0.0282 0.0151
Trichomonas vaginalis aldo-keto reductase, putative 0.1313 1 1
Loa Loa (eye worm) oxidoreductase 0.1313 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.038 0.2765 0.2668
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1313 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.038 0.2765 0.2668
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.038 0.2765 0.5
Schistosoma mansoni aldo-keto reductase 0.1313 1 1
Plasmodium falciparum aldehyde reductase, putative 0.038 0.2765 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.1313 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1313 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.038 0.2765 0.5
Schistosoma mansoni aldo-keto reductase 0.1313 1 1
Plasmodium vivax aldehyde reductase, putative 0.038 0.2765 0.5
Onchocerca volvulus 0.1313 1 1
Loa Loa (eye worm) oxidoreductase 0.1313 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0933 0.705 0.5922
Trichomonas vaginalis aldo-keto reductase, putative 0.1313 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1313 1 1
Echinococcus multilocularis aldehyde reductase 0.0933 0.705 0.701
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1313 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1313 1 1
Echinococcus granulosus aldehyde reductase 0.0933 0.705 0.701
Loa Loa (eye worm) hypothetical protein 0.1313 1 1
Onchocerca volvulus 0.1313 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.1313 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1313 1 1
Echinococcus granulosus aldo keto reductase 0.1313 1 1
Echinococcus multilocularis aldo keto reductase 0.1313 1 1
Echinococcus granulosus aldo keto reductase 0.1313 1 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0044 0.0159 0.0159
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1313 1 1
Giardia lamblia Aldose reductase 0.1313 1 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1313 1 1
Giardia lamblia Aldose reductase 0.1313 1 0.5
Echinococcus granulosus aldo keto reductase 0.1313 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.1313 1 1
Loa Loa (eye worm) oxidoreductase 0.1313 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1313 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1313 1 1
Entamoeba histolytica aldose reductase, putative 0.1313 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1313 1 1
Echinococcus multilocularis aldo keto reductase 0.1313 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.1313 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1313 1 1
Brugia malayi NADH-dependent xylose reductase 0.038 0.2765 0.2765
Loa Loa (eye worm) oxidoreductase 0.1313 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1313 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1313 1 1
Schistosoma mansoni metabotropic glutamate receptor 0.0041 0.0133 0.0133
Echinococcus multilocularis aldo keto reductase 0.1313 1 1
Echinococcus granulosus hypothetical protein 0.1313 1 1
Loa Loa (eye worm) oxidoreductase 0.1313 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1313 1 1
Schistosoma mansoni pol-related 0.1313 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1313 1 1
Toxoplasma gondii aldose reductase, putative 0.1313 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1313 1 1
Brugia malayi Metabotropic glutamate receptor precursor. 0.0049 0.0194 0.0194
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1313 1 1

Activities

No activities found for this compound.

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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