Detailed information for compound 324779

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 409.415 | Formula: C24H16FN5O
  • H donors: 0 H acceptors: 4 LogP: 5.66 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cc(cc(c1)n1nnc(n1)c1ccccn1)c1ccccc1Oc1ccccc1
  • InChi: 1S/C24H16FN5O/c25-18-14-17(21-10-4-5-12-23(21)31-20-8-2-1-3-9-20)15-19(16-18)30-28-24(27-29-30)22-11-6-7-13-26-22/h1-16H
  • InChiKey: DWNLJXJSBWWWOW-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
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
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 japonicum hypothetical protein 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
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
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), 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 ko:K04606 glutamate receptor, metabotropic 3, putative 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
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

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
Trypanosoma cruzi CYC2-like cyclin, putative 0.0106 0.1703 0.1989
Trichomonas vaginalis cyclin B, putative 0.0079 0.0984 0.539
Echinococcus multilocularis cyclins 0.0079 0.0984 0.0984
Echinococcus granulosus cyclin b3 0.0079 0.0984 0.0984
Trichomonas vaginalis cyclin B, putative 0.0106 0.1703 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0308 0.7004 1
Trichomonas vaginalis cyclin D, putative 0.0079 0.0984 0.539
Trichomonas vaginalis cyclin B, putative 0.0106 0.1703 1
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.0984 0.539
Schistosoma mansoni cyclins 0.0079 0.0984 0.0984
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0202 0.4207 0.4207
Echinococcus multilocularis cyclin B 0.0106 0.1703 0.1703
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0308 0.7004 1
Schistosoma mansoni cyclin B 0.0106 0.1703 0.1703
Echinococcus granulosus dihydrofolate reductase 0.0423 1 1
Echinococcus multilocularis dihydrofolate reductase 0.0423 1 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0202 0.4207 0.4156
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.0388 0.1568
Trichomonas vaginalis cyclin B3, putative 0.0079 0.0984 0.539
Loa Loa (eye worm) hypothetical protein 0.006 0.0504 0.0302
Echinococcus multilocularis metabotropic glutamate receptor 5 0.006 0.0504 0.0504
Trichomonas vaginalis cyclin B, putative 0.0106 0.1703 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.006 0.0504 0.0504
Loa Loa (eye worm) thymidylate synthase 0.0117 0.1997 0.1827
Brugia malayi Cyclin, N-terminal domain containing protein 0.0106 0.1703 0.163
Brugia malayi hypothetical protein 0.0056 0.0388 0.0303
Trichomonas vaginalis cyclin D, putative 0.0079 0.0984 0.539
Echinococcus granulosus cyclins 0.0079 0.0984 0.0984
Trichomonas vaginalis cyclins, putative 0.0106 0.1703 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0056 0.0383 0.0383
Echinococcus multilocularis cyclin b3 0.0079 0.0984 0.0984
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0308 0.7004 1
Trichomonas vaginalis cyclin A, putative 0.0106 0.1703 1
Trichomonas vaginalis cyclins, putative 0.0079 0.0984 0.539
Entamoeba histolytica cyclin, putative 0.0106 0.1703 1
Giardia lamblia G2/mitotic-specific cyclin B 0.0106 0.1703 1
Trypanosoma cruzi cyclin, putative 0.0106 0.1703 0.1989
Brugia malayi Dihydrofolate reductase 0.0423 1 1
Trypanosoma cruzi cyclin, putative 0.0106 0.1703 0.1989
Echinococcus multilocularis cyclins 0.0079 0.0984 0.0984
Echinococcus granulosus cyclins 0.0079 0.0984 0.0984
Echinococcus multilocularis cyclins 0.0079 0.0984 0.0984
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0308 0.7004 0.5
Echinococcus granulosus thymidylate synthase 0.0117 0.1997 0.1997
Echinococcus granulosus cyclins 0.0079 0.0984 0.0984
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0423 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0308 0.7004 1
Trichomonas vaginalis cyclins, putative 0.0106 0.1703 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0106 0.1703 0.163
Loa Loa (eye worm) cyclin domain-containing protein 0.0202 0.4207 0.4084
Echinococcus multilocularis cyclin B3 1 0.0079 0.0984 0.0984
Echinococcus granulosus cyclin B 0.0106 0.1703 0.1703
Loa Loa (eye worm) hypothetical protein 0.0106 0.1703 0.1527
Schistosoma mansoni dihydrofolate reductase 0.0423 1 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0423 1 1
Echinococcus multilocularis cyclins 0.0079 0.0984 0.0984
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0423 1 1
Trichomonas vaginalis cyclin B, putative 0.0106 0.1703 1
Chlamydia trachomatis dihydrofolate reductase 0.0423 1 0.5
Echinococcus multilocularis thymidylate synthase 0.0117 0.1997 0.1997
Echinococcus multilocularis cyclins 0.0079 0.0984 0.0984
Loa Loa (eye worm) hypothetical protein 0.0106 0.1703 0.1527
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0117 0.1997 0.1997
Loa Loa (eye worm) dihydrofolate reductase 0.0423 1 1
Echinococcus granulosus cyclin B3 1 0.0079 0.0984 0.0984
Echinococcus granulosus cyclins 0.0079 0.0984 0.0984
Echinococcus granulosus cyclins 0.0079 0.0984 0.0984
Brugia malayi thymidylate synthase 0.0117 0.1997 0.1926
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0117 0.1997 0.1674
Brugia malayi Metabotropic glutamate receptor precursor. 0.0049 0.0208 0.0121
Echinococcus multilocularis cyclins 0.0079 0.0984 0.0984
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0202 0.4207 0.4207
Echinococcus multilocularis cyclins 0.0079 0.0984 0.0984
Schistosoma mansoni cyclin B3 0.0202 0.4207 0.4207
Trichomonas vaginalis cyclins, putative 0.0106 0.1703 1
Onchocerca volvulus 0.0117 0.1997 1
Trypanosoma cruzi cyclin 6, putative 0.0106 0.1703 0.1989
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0308 0.7004 1
Trichomonas vaginalis cyclins, putative 0.0106 0.1703 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 418 nM In vitro antagonistic activity against Metabotropic glutamate receptor 5 in [Ca2+] flux assay ChEMBL. 15482909
IC50 (functional) = 418 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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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