TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 257.263 | Formula: C14H12FN3O
H donors: 1 H acceptors: 3 LogP: 2.31 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)Nc1ncc2c(n1)CCCC2=O
InChi: 1S/C14H12FN3O/c15-9-3-1-4-10(7-9)17-14-16-8-11-12(18-14)5-2-6-13(11)19/h1,3-4,7-8H,2,5-6H2,(H,16,17,18)
InChiKey: LVYJLMJHJOEADD-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), 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 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
Echinococcus granulosus	metabotropic glutamate receptor 5	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	Metabotropic glutamate receptor precursor, putative	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	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 mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	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
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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0425	0.0792	1
Schistosoma mansoni	nuclear receptor	0.02	0.0329	0.4153
Loa Loa (eye worm)	hypothetical protein	0.0425	0.0792	0.0815
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.02	0.0329	0.4153
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.02	0.0329	0.4153
Schistosoma mansoni	thyroid hormone receptor	0.0425	0.0792	1
Brugia malayi	hypothetical protein	0.02	0.0329	0.0338
Brugia malayi	nuclear hormone receptor	0.4662	0.9537	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.02	0.0329	0.4153
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0425	0.0792	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0425	0.0792	1
Loa Loa (eye worm)	hypothetical protein	0.02	0.0329	0.0328
Schistosoma mansoni	nuclear hormone receptor	0.02	0.0329	0.4153
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0425	0.0792	0.0815
Loa Loa (eye worm)	nuclear hormone receptor	0.02	0.0329	0.0328
Echinococcus granulosus	Nuclear hormone receptor HR96	0.02	0.0329	0.4153
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.006	0.004	0.0501
Brugia malayi	ecdysone receptor	0.02	0.0329	0.0338
Echinococcus multilocularis	FTZ F1 alpha	0.0425	0.0792	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0425	0.0792	1
Loa Loa (eye worm)	hypothetical protein	0.0224	0.0379	0.038
Loa Loa (eye worm)	hypothetical protein	0.0425	0.0792	0.0815
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.02	0.0329	0.4153
Loa Loa (eye worm)	hypothetical protein	0.02	0.0329	0.0328
Brugia malayi	Nuclear hormone receptor E75	0.02	0.0329	0.0338
Brugia malayi	nuclear hormone receptor family member nhr-6	0.02	0.0329	0.0338
Brugia malayi	steroid hormone receptor	0.0425	0.0792	0.0824
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0425	0.0792	0.0824
Brugia malayi	Steroid receptor seven-up type 2	0.0425	0.0792	0.0824
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.02	0.0329	0.4153
Brugia malayi	tailless protein	0.02	0.0329	0.0338
Loa Loa (eye worm)	hypothetical protein	0.0224	0.0379	0.038
Brugia malayi	photoreceptor-specific nuclear receptor	0.0425	0.0792	0.0824
Brugia malayi	Nuclear hormone receptor-like 1	0.0224	0.0379	0.039
Brugia malayi	conserved hypotetical protein	0.02	0.0329	0.0338
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0425	0.0792	0.0824
Brugia malayi	nuclear receptor RXR	0.02	0.0329	0.0338
Schistosoma mansoni	nuclear receptor nhr-48	0.02	0.0329	0.4153
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.02	0.0329	0.0338
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0425	0.0792	1
Brugia malayi	hypothetical protein	0.02	0.0329	0.0338
Schistosoma mansoni	retinoic acid receptor RXR	0.0425	0.0792	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0425	0.0792	1
Onchocerca volvulus		0.0425	0.0792	0.0479
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0425	0.0792	0.0815
Loa Loa (eye worm)	hypothetical protein	0.02	0.0329	0.0328
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0425	0.0792	0.0815
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0425	0.0792	1
Brugia malayi	nuclear receptor RXR	0.0224	0.0379	0.039
Loa Loa (eye worm)	hypothetical protein	0.02	0.0329	0.0328
Loa Loa (eye worm)	hypothetical protein	0.02	0.0329	0.0328
Brugia malayi	nuclear receptor NHR-88	0.0425	0.0792	0.0824
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0425	0.0792	0.0824
Loa Loa (eye worm)	hypothetical protein	0.02	0.0329	0.0328
Loa Loa (eye worm)	hypothetical protein	0.4462	0.9123	0.9566
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0425	0.0792	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0425	0.0792	0.0815
Schistosoma mansoni	thyroid hormone receptor	0.0425	0.0792	1
Echinococcus granulosus	FTZ F1 alpha	0.0425	0.0792	1
Brugia malayi	nuclear hormone receptor	0.0425	0.0792	0.0824
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0425	0.0792	0.0824
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0224	0.0379	0.4779
Echinococcus granulosus	ecdysone induced protein 78C	0.0425	0.0792	1
Brugia malayi	ecdysteroid receptor	0.0425	0.0792	0.0824
Loa Loa (eye worm)	hypothetical protein	0.006	0.004	0.0024
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0425	0.0792	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0425	0.0792	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0425	0.0792	1
Loa Loa (eye worm)	hypothetical protein	0.0425	0.0792	0.0815
Loa Loa (eye worm)	DR-78	0.02	0.0329	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0224	0.0379	0.038
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0425	0.0792	1
Loa Loa (eye worm)	hypothetical protein	0.02	0.0329	0.0328
Echinococcus granulosus	nuclear receptor nhr 48	0.02	0.0329	0.4153
Brugia malayi	Nuclear hormone receptor E75	0.02	0.0329	0.0338
Schistosoma mansoni	nuclear receptor	0.02	0.0329	0.4153
Brugia malayi	Nuclear hormone receptor-like 1	0.0224	0.0379	0.039
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0425	0.0792	0.0824
Loa Loa (eye worm)	hypothetical protein	0.02	0.0329	0.0328
Echinococcus granulosus	thyroid hormone receptor alpha	0.02	0.0329	0.4153
Loa Loa (eye worm)	hypothetical protein	0.0224	0.0379	0.038
Loa Loa (eye worm)	hypothetical protein	0.02	0.0329	0.0328
Loa Loa (eye worm)	nuclear receptor NHR-67	0.02	0.0329	0.0328
Brugia malayi	nuclear receptor NHR-88	0.02	0.0329	0.0338
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0224	0.0379	0.4779
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0425	0.0792	0.0824
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0425	0.0792	0.0824
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0224	0.0379	0.038
Loa Loa (eye worm)	steroid hormone receptor	0.0425	0.0792	0.0815
Echinococcus granulosus	metabotropic glutamate receptor 5	0.006	0.004	0.0501
Loa Loa (eye worm)	hypothetical protein	0.02	0.0329	0.0328
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0425	0.0792	1
Loa Loa (eye worm)	hypothetical protein	0.02	0.0329	0.0328
Loa Loa (eye worm)	hypothetical protein	0.02	0.0329	0.0328
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0425	0.0792	0.0815
Loa Loa (eye worm)	hypothetical protein	0.0425	0.0792	0.0815
Loa Loa (eye worm)	hypothetical protein	0.0425	0.0792	0.0815
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0425	0.0792	0.0815
Schistosoma mansoni	nuclear hormone receptor	0.0425	0.0792	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.02	0.0329	0.4153
Loa Loa (eye worm)	hypothetical protein	0.0224	0.0379	0.038
Brugia malayi	hypothetical protein	0.0224	0.0379	0.039
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0425	0.0792	0.0815
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0425	0.0792	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.02	0.0329	0.4153
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0049	0.0016	0.001
Brugia malayi	orphan nuclear receptor NR2E1	0.02	0.0329	0.0338
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0425	0.0792	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.02	0.0329	0.0338
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0425	0.0792	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0425	0.0792	0.0824
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0425	0.0792	0.0824
Schistosoma mansoni	zinc finger protein	0.02	0.0329	0.4153
Onchocerca volvulus	Bile acid receptor homolog	0.0425	0.0792	0.0479
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0425	0.0792	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0425	0.0792	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0425	0.0792	0.0824
Loa Loa (eye worm)	hypothetical protein	0.0425	0.0792	0.0815
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0425	0.0792	0.0824
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0224	0.0379	0.4779
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0425	0.0792	1
Brugia malayi	nuclear receptor NHR-67	0.02	0.0329	0.0338
Schistosoma mansoni	coup transcription factor	0.0425	0.0792	1
Schistosoma mansoni	nuclear hormone receptor	0.02	0.0329	0.4153
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0224	0.0379	0.4779
Loa Loa (eye worm)	hypothetical protein	0.0425	0.0792	0.0815
Loa Loa (eye worm)	hypothetical protein	0.02	0.0329	0.0328
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.4662	0.9537	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0425	0.0792	0.0824
Echinococcus multilocularis	nuclear receptor nhr 48	0.02	0.0329	0.4153
Onchocerca volvulus	Protein ultraspiracle homolog	0.0425	0.0792	0.0479
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0425	0.0792	0.0824
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0425	0.0792	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0425	0.0792	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0425	0.0792	1
Brugia malayi	hypothetical protein	0.0224	0.0379	0.039
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.02	0.0329	0.4153
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0056	0.003	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0425	0.0792	0.0815
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0425	0.0792	0.0824
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.02	0.0329	0.4153
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0425	0.0792	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.02	0.0329	0.4153

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 2.23 uM	Negative allosteric modulation of human mGluR5 expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular cAMP accumulation treated 5 mins before L-quisqualate addition by FLIPR assay	ChEMBL.	23856046

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

ChEMBL: CHEMBL2408583

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1772380