TDR Targets

Basic information

Technical information

TDR Targets ID: 68719
Name: 3-(2-chlorophenyl)-6-fluoro-2-[2-(2-fluorophe nyl)ethyl]quinazolin-4-one
MW: 396.817 | Formula: C22H15ClF2N2O
H donors: 0 H acceptors: 1 LogP: 5.15 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc2c(c1)c(=O)n(c(n2)CCc1ccccc1F)c1ccccc1Cl
InChi: 1S/C22H15ClF2N2O/c23-17-6-2-4-8-20(17)27-21(12-9-14-5-1-3-7-18(14)25)26-19-11-10-15(24)13-16(19)22(27)28/h1-8,10-11,13H,9,12H2
InChiKey: WXPGCCVRPZBOGL-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

3-(2-chlorophenyl)-6-fluoro-2-[2-(2-fluorophenyl)ethyl]-4-quinazolinone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Glutamate receptor ionotropic, AMPA	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	779 aa	33.4 %
Echinococcus multilocularis	glutamate receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	868 aa	30.4 %
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	809 aa	33.6 %
Onchocerca volvulus		Glutamate receptor ionotropic, AMPA	907 aa	796 aa	40.5 %
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	779 aa	33.4 %
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	Glutamate receptor ionotropic, AMPA	907 aa	948 aa	30.6 %
Drosophila melanogaster	Glutamate receptor IIB	Glutamate receptor ionotropic, AMPA	907 aa	863 aa	27.8 %
Onchocerca volvulus	Putative 39S ribosomal protein L45, mitochondrial	Glutamate receptor ionotropic, AMPA	907 aa	799 aa	37.7 %
Drosophila melanogaster	NMDA receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	789 aa	22.1 %
Echinococcus granulosus	glutamate receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	875 aa	30.4 %
Schistosoma mansoni	glutamate receptor kainate	Glutamate receptor ionotropic, AMPA	907 aa	753 aa	33.2 %
Drosophila melanogaster	Glutamate receptor IA	Glutamate receptor ionotropic, AMPA	907 aa	900 aa	40.6 %
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	Glutamate receptor ionotropic, AMPA	907 aa	959 aa	30.9 %
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	888 aa	34.0 %
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	809 aa	34.1 %
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	886 aa	34.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	nuclear receptor NHR-88	0.0899	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0424	0.4471	0.4471
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0899	1	1
Brugia malayi	nuclear receptor RXR	0.0475	0.5063	0.2724
Brugia malayi	nuclear hormone receptor	0.0899	1	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0424	0.4471	0.1851
Entamoeba histolytica	glutamine synthetase, putative	0.0224	0.2138	0.5
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0475	0.5063	0.5063
Brugia malayi	Nuclear hormone receptor E75	0.0424	0.4471	0.1851
Brugia malayi	hypothetical protein	0.0424	0.4471	0.1851
Loa Loa (eye worm)	hypothetical protein	0.0475	0.5063	0.1071
Loa Loa (eye worm)	hypothetical protein	0.0899	1	1
Wolbachia endosymbiont of Brugia malayi	glutamine synthetase	0.0224	0.2138	0.5
Loa Loa (eye worm)	hypothetical protein	0.0899	1	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0424	0.4471	0.4471
Brugia malayi	steroid hormone receptor	0.0899	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0899	1	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0424	0.4471	0.4471
Trypanosoma brucei	glutamine synthetase, putative	0.0886	0.985	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0899	1	1
Loa Loa (eye worm)	hypothetical protein	0.0475	0.5063	0.1071
Brugia malayi	hypothetical protein	0.0424	0.4471	0.1851
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0899	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0899	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0899	1	1
Schistosoma mansoni	coup transcription factor	0.0899	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0424	0.4471	0.4471
Echinococcus granulosus	ecdysone induced protein 78C	0.0899	1	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0899	1	1
Brugia malayi	nuclear hormone receptor	0.0424	0.4471	0.1851
Mycobacterium tuberculosis	Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II)	0.057	0.6169	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0899	1	1
Entamoeba histolytica	glutamine synthetase, putative	0.0224	0.2138	0.5
Loa Loa (eye worm)	Gln-2 protein	0.057	0.6169	0.3071
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0899	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0899	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0899	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0899	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0899	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0475	0.5063	0.2724
Brugia malayi	tailless protein	0.0424	0.4471	0.1851
Echinococcus multilocularis	ecdysone induced protein 78C	0.0899	1	1
Onchocerca volvulus		0.0899	1	1
Leishmania major	glutamine synthetase, putative	0.0886	0.985	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0899	1	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0424	0.4471	0.4471
Loa Loa (eye worm)	hypothetical protein	0.0899	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0899	1	1
Trypanosoma cruzi	glutamine synthetase, putative	0.0886	0.985	0.5
Trypanosoma cruzi	glutamine synthetase, putative	0.0886	0.985	0.5
Echinococcus multilocularis	glutamine synthetase	0.0886	0.985	0.985
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0899	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0899	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0899	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.0899	1	1
Brugia malayi	nuclear receptor NHR-88	0.0424	0.4471	0.1851
Trichomonas vaginalis	glutamine synthetase, putative	0.0224	0.2138	0.5
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0899	1	1
Brugia malayi	hypothetical protein	0.0475	0.5063	0.2724
Loa Loa (eye worm)	hypothetical protein	0.0899	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0475	0.5063	0.2724
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0899	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0424	0.4471	0.2968
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0899	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0899	1	1
Mycobacterium leprae	PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II)	0.057	0.6169	0.5
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0424	0.4471	0.4471
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0899	1	1
Mycobacterium ulcerans	glutamine synthetase	0.057	0.6169	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0424	0.4471	0.4471
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0424	0.4471	0.4471
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0899	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0475	0.5063	0.1071
Schistosoma mansoni	nuclear hormone receptor	0.0424	0.4471	0.2968
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0899	1	1
Brugia malayi	nuclear receptor RXR	0.0424	0.4471	0.1851
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0899	1	1
Echinococcus granulosus	FTZ F1 alpha	0.0899	1	1
Loa Loa (eye worm)	hypothetical protein	0.0475	0.5063	0.1071
Brugia malayi	Steroid receptor seven-up type 2	0.0899	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0899	1	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0424	0.4471	0.2968
Onchocerca volvulus	Glutamine synthetase homolog	0.057	0.6169	0.3071
Brugia malayi	Nuclear hormone receptor-like 1	0.0899	1	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0424	0.4471	0.2968
Trichomonas vaginalis	glutamine synthetase-bacteria, putative	0.0224	0.2138	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0899	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0899	1	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0424	0.4471	0.1851
Brugia malayi	hypothetical protein	0.0475	0.5063	0.2724
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0475	0.5063	0.3721
Brugia malayi	Nuclear hormone receptor E75	0.0424	0.4471	0.1851
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0899	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0899	1	1
Schistosoma mansoni	nuclear receptor	0.0424	0.4471	0.2968
Schistosoma mansoni	nuclear receptor nhr-48	0.0424	0.4471	0.2968
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0475	0.5063	0.3721
Loa Loa (eye worm)	hypothetical protein	0.0475	0.5063	0.1071
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0424	0.4471	0.1851
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0899	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0899	1	1
Plasmodium vivax	glutamine synthetase, putative	0.057	0.6169	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0899	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0899	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0424	0.4471	0.4471
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0899	1	1
Loa Loa (eye worm)	hypothetical protein	0.0899	1	1
Loa Loa (eye worm)	hypothetical protein	0.0899	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0899	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0899	1	1
Loa Loa (eye worm)	hypothetical protein	0.0899	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0899	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0899	1	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0424	0.4471	0.4471
Loa Loa (eye worm)	hypothetical protein	0.0475	0.5063	0.1071
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0899	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0424	0.4471	0.4471
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0899	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0899	1	1
Brugia malayi	conserved hypotetical protein	0.0424	0.4471	0.1851
Schistosoma mansoni	glutamine synthetase 1 2 (glutamate-amonia ligase) (gs)	0.0886	0.985	0.9809
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0424	0.4471	0.4471
Plasmodium falciparum	glutamine synthetase, putative	0.057	0.6169	0.5
Schistosoma mansoni	nuclear receptor	0.0424	0.4471	0.2968
Schistosoma mansoni	nuclear hormone receptor	0.0899	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0899	1	1
Echinococcus granulosus	glutamine synthetase	0.0886	0.985	0.985
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0475	0.5063	0.5063
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0899	1	1
Toxoplasma gondii	glutamine synthetase, type I, putative	0.057	0.6169	0.5
Schistosoma mansoni	zinc finger protein	0.0424	0.4471	0.2968
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0899	1	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0899	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.0899	1	1
Mycobacterium ulcerans	glutamine synthetase GlnA1	0.057	0.6169	1
Loa Loa (eye worm)	hypothetical protein	0.0899	1	1
Brugia malayi	ecdysone receptor	0.0424	0.4471	0.1851
Brugia malayi	orphan nuclear receptor NR2E1	0.0424	0.4471	0.1851
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0899	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0899	1	1
Brugia malayi	nuclear receptor NHR-67	0.0424	0.4471	0.1851

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.16 uM	Inhibition of Ca 2+ Influx in cultured rat cerebellar granule cells, mediated by ionotropic glutamate receptor AMPA	ChEMBL.	11356106
IC50 (functional)	= 0.16 uM	Inhibition of Ca 2+ Influx in cultured rat cerebellar granule cells, mediated by ionotropic glutamate receptor AMPA	ChEMBL.	11356106

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

PubChem: 10834592

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 68719