Detailed information for compound 1793786

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 324.309 | Formula: C17H13FN4O2
  • H donors: 1 H acceptors: 4 LogP: 2.29 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(Oc2cncnc2)cc(c1)C(=O)Nc1ccc(cn1)F
  • InChi: 1S/C17H13FN4O2/c1-11-4-12(17(23)22-16-3-2-13(18)7-21-16)6-14(5-11)24-15-8-19-10-20-9-15/h2-10H,1H3,(H,21,22,23)
  • InChiKey: IXRVAEYDHWYODF-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 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Echinococcus granulosus metabotropic glutamate receptor 5 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 multilocularis metabotropic glutamate receptor 2 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 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
Loa Loa (eye worm) hypothetical protein 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 ko:K04606 glutamate receptor, metabotropic 3, 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
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
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.3187 0.4041
Loa Loa (eye worm) hypothetical protein 0.0048 0.4163 0.4395
Loa Loa (eye worm) hypothetical protein 0.0046 0.3818 0.4014
Schistosoma mansoni bromodomain containing protein 0.0072 0.7886 1
Entamoeba histolytica hypothetical protein 0.0042 0.3187 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.724 1
Echinococcus granulosus metabotropic glutamate receptor 2 0.0041 0.3003 0.4148
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.2951 0.4076
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0535 0.0739
Echinococcus granulosus metabotropic glutamate receptor 5 0.006 0.6072 0.8388
Loa Loa (eye worm) glutamate receptor 0.0049 0.427 0.4513
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.3187 0.4402
Schistosoma mansoni hypothetical protein 0.0023 0.0191 0.0242
Entamoeba histolytica hypothetical protein 0.0042 0.3187 0.5
Schistosoma mansoni hypothetical protein 0.0042 0.3187 0.4041
Brugia malayi hypothetical protein 0.0042 0.3187 0.2997
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0535 0.0739
Entamoeba histolytica hypothetical protein 0.0042 0.3187 0.5
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0056 0.5339 0.677
Schistosoma mansoni metabotropic glutamate receptor 0.0041 0.3003 0.3809
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.724 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.3391 0.3541
Echinococcus multilocularis metabotropic glutamate receptor 5 0.006 0.6072 0.8388
Loa Loa (eye worm) hypothetical protein 0.008 0.9228 1
Entamoeba histolytica hypothetical protein 0.0042 0.3187 0.5
Brugia malayi PHD-finger family protein 0.0028 0.0963 0.0711
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.3187 0.4402
Brugia malayi Bromodomain containing protein 0.0043 0.3378 0.3194
Brugia malayi Metabotropic glutamate receptor precursor. 0.0049 0.427 0.411
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0535 0.0679
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0041 0.3003 0.4148
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0044 0.3536 0.3356
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.2951 0.4076
Loa Loa (eye worm) hypothetical protein 0.006 0.6072 0.6508
Schistosoma mansoni metabotropic glutamate receptor 0.0024 0.0271 0.0343

Activities

Activity type Activity value Assay description Source Reference
%max (binding) = 0.8 % Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization at 30 uM preincubated for 140 seconds prior to glutamate-stimulation measured after 60 seconds relative to glutamate ChEMBL. 24074843
IC50 (binding) = 7.72 Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization preincubated for 140 seconds prior to glutamate-stimulation measured after 60 seconds ChEMBL. 24074843
IC50 (binding) = 19 nM Negative allosteric modulation of rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization preincubated for 140 seconds prior to glutamate-stimulation measured after 60 seconds ChEMBL. 24074843

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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