TDR Targets

Basic information

Technical information

TDR Targets ID: 76838
Name: 6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-pyridin- 2-ylethenyl]quinazolin-4-one
MW: 361.344 | Formula: C21H13F2N3O
H donors: 0 H acceptors: 2 LogP: 3.68 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccn1)c1ccccc1F
InChi: 1S/C21H13F2N3O/c22-14-8-10-18-16(13-14)21(27)26(19-7-2-1-6-17(19)23)20(25-18)11-9-15-5-3-4-12-24-15/h1-13H/b11-9+
InChiKey: NKLRLPLSEJDIIC-PKNBQFBNSA-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

6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-(2-pyridyl)vinyl]quinazolin-4-one
6-fluoro-3-(2-fluorophenyl)-2-[(E)-2-(2-pyridyl)vinyl]-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 granulosus	glutamate receptor ionotrophic AMPA 3	Glutamate receptor ionotropic, AMPA	907 aa	948 aa	30.6 %
Echinococcus multilocularis	glutamate receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	868 aa	30.4 %
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	809 aa	34.1 %
Drosophila melanogaster	Glutamate receptor IIB	Glutamate receptor ionotropic, AMPA	907 aa	863 aa	27.8 %
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	888 aa	34.0 %
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	886 aa	34.2 %
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	Glutamate receptor ionotropic, AMPA	907 aa	959 aa	30.9 %
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	779 aa	33.4 %
Echinococcus granulosus	glutamate receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	875 aa	30.4 %
Onchocerca volvulus	Putative 39S ribosomal protein L45, mitochondrial	Glutamate receptor ionotropic, AMPA	907 aa	799 aa	37.7 %
Drosophila melanogaster	Glutamate receptor IA	Glutamate receptor ionotropic, AMPA	907 aa	900 aa	40.6 %
Schistosoma mansoni	glutamate receptor kainate	Glutamate receptor ionotropic, AMPA	907 aa	753 aa	33.2 %
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 multilocularis	Glutamate receptor, ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	809 aa	33.6 %
Drosophila melanogaster	NMDA receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	789 aa	22.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	gabp alpha	0.0078	0.0979	0.1671
Echinococcus granulosus	glutamate receptor 2	0.0025	0.0084	0.0458
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0105	0.1436	0.1414
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0207	0.0353
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.0207	0.1442
Brugia malayi	Pre-SET motif family protein	0.0032	0.0207	0.0267
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0323	0.5105	1
Schistosoma mansoni	glutamate receptor NMDA	0.003	0.0176	0.03
Brugia malayi	hypothetical protein	0.0132	0.1888	0.275
Brugia malayi	Pre-SET motif family protein	0.0224	0.3441	0.5044
Echinococcus multilocularis	glutamate receptor 2	0.003	0.0176	0.1193
Onchocerca volvulus		0.0255	0.3962	1
Echinococcus granulosus	glutamate receptor 2	0.0036	0.0272	0.1966
Schistosoma mansoni	phosphoglucomutase	0.0021	0.0026	0.0045
Schistosoma mansoni	glutamate receptor kainate	0.003	0.0176	0.03
Brugia malayi	Glutamate receptor 1 precursor	0.003	0.0176	0.0221
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0207	0.0353
Echinococcus multilocularis	DNA polymerase alpha catalytic subunit	0.0053	0.0559	0.4256
Schistosoma mansoni	glutamate receptor NMDA	0.0036	0.0272	0.0465
Echinococcus multilocularis	glutamate receptor 2	0.0036	0.0272	0.1966
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0613	1	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.1278	0.1665
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.029	0.4556	0.4542
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0788	0.0926
Onchocerca volvulus	DNA polymerase alpha catalytic subunit homolog	0.0073	0.0894	0.2204
Echinococcus multilocularis	nmda type glutamate receptor	0.004	0.0338	0.2492
Brugia malayi	DNA polymerase alpha catalytic subunit	0.0043	0.039	0.0538
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.0207	0.0353
Brugia malayi	Ets-domain containing protein	0.0078	0.0979	0.1407
Trypanosoma brucei	RNA helicase, putative	0.0368	0.5857	0.5846
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0894	0.1085
Schistosoma mansoni	DNA polymerase gamma	0.0096	0.1278	0.2182
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0323	0.5105	1
Echinococcus granulosus	nmda type glutamate receptor	0.004	0.0338	0.2492
Trypanosoma brucei	unspecified product	0.003	0.0167	0.0141
Trypanosoma brucei	hypothetical protein, conserved	0.003	0.0167	0.0141
Echinococcus granulosus	DNA polymerase alpha catalytic subunit	0.0053	0.0559	0.4256
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0323	0.5105	0.9992
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0224	0.3441	0.4932
Leishmania major	DNA polymerase I alpha catalytic subunit, putative	0.0023	0.0055	0.0029
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.029	0.4556	0.4542
Brugia malayi	DNA polymerase I family protein	0.0096	0.1278	0.1849
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.0207	0.1442
Trypanosoma brucei	ingi protein (ORF1)	0.003	0.0167	0.0141
Entamoeba histolytica	fatty acid elongase, putative	0.0042	0.0372	0.5
Schistosoma mansoni	glutamate receptor AMPA	0.003	0.0176	0.03
Entamoeba histolytica	fatty acid elongase, putative	0.0042	0.0372	0.5
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0323	0.5105	0.9992
Schistosoma mansoni	DNA polymerase alpha catalytic subunit	0.0053	0.0559	0.0955
Schistosoma mansoni	phosphoglucomutase	0.0021	0.0026	0.0045
Echinococcus granulosus	glutamate NMDA receptor subunit	0.003	0.0176	0.1193
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0323	0.5105	0.9992
Trichomonas vaginalis	DNA polymerase II, putative	0.0023	0.0055	0.0074
Trypanosoma brucei	DNA polymerase alpha catalytic subunit	0.0023	0.0055	0.0029
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.0207	0.1442
Echinococcus multilocularis	glutamate receptor 2	0.0025	0.0084	0.0458
Loa Loa (eye worm)	fli-1 protein	0.0237	0.3654	0.5254
Schistosoma mansoni	glutamate receptor kainate	0.003	0.0176	0.03
Schistosoma mansoni	glutamate receptor kainate	0.003	0.0176	0.03
Schistosoma mansoni	hypothetical protein	0.0368	0.5857	1
Plasmodium vivax	DNA polymerase alpha, putative	0.0043	0.039	0.0375
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0323	0.5109	1
Loa Loa (eye worm)	camk/mapkapk/mnk protein kinase	0.0423	0.6796	1
Echinococcus granulosus	DNA polymerase subunit gamma	0.0096	0.1278	1
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0323	0.5105	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.0207	0.1382
Brugia malayi	Glutamate receptor 2 precursor	0.003	0.0176	0.0221
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0036	0.0272	0.1966
Trypanosoma brucei	ingi protein (ORF1)	0.003	0.0167	0.0141
Trichomonas vaginalis	set domain proteins, putative	0.0255	0.3962	1
Toxoplasma gondii	hypothetical protein	0.0099	0.1332	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.0207	0.0353
Toxoplasma gondii	DNA polymerase (pol2) superfamily protein	0.0043	0.039	0.2787
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0323	0.5105	0.9992
Echinococcus multilocularis	GA binding protein alpha chain	0.0078	0.0979	0.761
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.029	0.4556	0.4542
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0036	0.0272	0.1966
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0086	0.1118	0.1095
Onchocerca volvulus		0.0032	0.0207	0.0459
Echinococcus granulosus	GA binding protein alpha chain	0.0078	0.0979	0.761
Schistosoma mansoni	ATP-binding cassette transporter	0.003	0.0176	0.03
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0086	0.1118	0.1095
Echinococcus multilocularis	hypothetical protein	0.0096	0.1278	1
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.003	0.0176	0.1193
Brugia malayi	Ets-domain containing protein	0.0078	0.0979	0.1407
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0036	0.0272	0.1966
Mycobacterium ulcerans	hypothetical protein	0.0323	0.5109	1
Trypanosoma cruzi	DNA polymerase I alpha catalytic subunit, putative	0.0023	0.0055	0.0029
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0029	0.0149	1
Loa Loa (eye worm)	hypothetical protein	0.0344	0.5457	0.7978
Brugia malayi	Protein kinase domain containing protein	0.0423	0.6796	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0036	0.0272	0.1966
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0207	0.0047
Schistosoma mansoni	ets-related	0.0237	0.3654	0.6238
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0613	1	1
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0029	0.0149	1
Giardia lamblia	DNA polymerase alpha subunit A	0.0045	0.0422	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0036	0.0272	0.1966
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0613	1	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0036	0.0272	0.1966
Entamoeba histolytica	fatty acid elongase, putative	0.0042	0.0372	0.5
Schistosoma mansoni	glutamate receptor AMPA	0.003	0.0176	0.03
Schistosoma mansoni	phosphoglucomutase	0.0021	0.0026	0.0045
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0187	0.1283
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0036	0.0272	0.1966
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0078	0.0979	0.1213
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0086	0.1118	0.1095
Entamoeba histolytica	fatty acid elongase, putative	0.0042	0.0372	0.5
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0036	0.0272	0.1966
Brugia malayi	Fli-1 protein	0.0237	0.3654	0.5358
Entamoeba histolytica	fatty acid elongase, putative	0.0042	0.0372	0.5
Trichomonas vaginalis	DNA polymerase alpha catalytic subunit, putative	0.0023	0.0055	0.0074
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0086	0.1118	0.1095
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.003	0.0167	0.0141
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.004	0.0338	0.2492
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0323	0.5105	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 180 nM	Ability to block kainate-induced 45 [Ca2+] influx through functional assay of Ionotropic glutamate receptor AMPA activity in rat cerebellar granule cells	ChEMBL.	11206453
IC50 (functional)	= 180 nM	Ability to block kainate-induced 45 [Ca2+] influx through functional assay of Ionotropic glutamate receptor AMPA activity in rat cerebellar granule cells	ChEMBL.	11206453

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: 18363013

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 76838