TDR Targets

Basic information

Technical information

TDR Targets ID: 76837
Name: 3-(2-chlorophenyl)-6-fluoro-2-[(E)-2-pyridin- 2-ylethenyl]quinazolin-4-one
MW: 377.799 | Formula: C21H13ClFN3O
H donors: 0 H acceptors: 2 LogP: 4.21 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc2c(c1)c(=O)n(c(n2)/C=C/c1ccccn1)c1ccccc1Cl
InChi: 1S/C21H13ClFN3O/c22-17-6-1-2-7-19(17)26-20(11-9-15-5-3-4-12-24-15)25-18-10-8-14(23)13-16(18)21(26)27/h1-13H/b11-9+
InChiKey: ZFVWXCOZQAODAN-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

3-(2-chlorophenyl)-6-fluoro-2-[(E)-2-(2-pyridyl)vinyl]quinazolin-4-one
3-(2-chlorophenyl)-6-fluoro-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 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 multilocularis	Glutamate receptor, ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	886 aa	34.2 %
Onchocerca volvulus	Putative 39S ribosomal protein L45, mitochondrial	Glutamate receptor ionotropic, AMPA	907 aa	799 aa	37.7 %
Echinococcus granulosus	glutamate receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	875 aa	30.4 %
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	809 aa	34.1 %
Echinococcus multilocularis	glutamate receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	868 aa	30.4 %
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 %
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	809 aa	33.6 %
Drosophila melanogaster	NMDA receptor 2	Glutamate receptor ionotropic, AMPA	907 aa	789 aa	22.1 %
Onchocerca volvulus		Glutamate receptor ionotropic, AMPA	907 aa	796 aa	40.5 %
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 granulosus	Glutamate receptor ionotropic kainate 2	Glutamate receptor ionotropic, AMPA	907 aa	779 aa	33.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	DNA polymerase alpha catalytic subunit	0.0054	0.0374	0.4256
Brugia malayi	Pre-SET motif family protein	0.0031	0.0124	0.0235
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0918	1	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0036	0.0178	0.1914
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0036	0.0178	0.1914
Chlamydia trachomatis	oxoacyl-ACP synthase III	0.0332	0.3477	1
Brugia malayi	hypothetical protein	0.0128	0.1203	0.2619
Echinococcus granulosus	nmda type glutamate receptor	0.004	0.0221	0.2433
Brugia malayi	DNA polymerase alpha catalytic subunit	0.0044	0.0261	0.0537
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0497	0.0866
Onchocerca volvulus	DNA polymerase alpha catalytic subunit homolog	0.0074	0.0597	0.2302
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0597	0.1091
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0435	0.4615	0.4605
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0124	0.0313
Brugia malayi	Ets-domain containing protein	0.0076	0.062	0.133
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0332	0.3477	0.6674
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0129	0.1214	0.1198
Trypanosoma brucei	unspecified product	0.003	0.0112	0.0095
Echinococcus multilocularis	nmda type glutamate receptor	0.004	0.0221	0.2433
Echinococcus multilocularis	glutamate receptor 2	0.0025	0.0053	0.0421
Toxoplasma gondii	hypothetical protein	0.0148	0.1425	1
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0076	0.062	0.1142
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0031	0.0124	0.0313
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0031	0.0124	0.1273
Echinococcus granulosus	histone lysine methyltransferase setb	0.0031	0.0124	0.1273
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0332	0.3477	1
Schistosoma mansoni	glutamate receptor NMDA	0.003	0.0114	0.0287
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0157	0.1528	0.1513
Echinococcus multilocularis	glutamate receptor 2	0.003	0.0114	0.1149
Brugia malayi	Pre-SET motif family protein	0.0218	0.22	0.4822
Onchocerca volvulus		0.0248	0.2535	1
Schistosoma mansoni	glutamate receptor kainate	0.003	0.0114	0.0287
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.003	0.0111	0.112
Schistosoma mansoni	phosphoglucomutase	0.0022	0.0018	0.0044
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0036	0.0178	0.1914
Entamoeba histolytica	fatty acid elongase, putative	0.0043	0.0257	0.5
Echinococcus granulosus	glutamate NMDA receptor subunit	0.003	0.0114	0.1149
Schistosoma mansoni	phosphoglucomutase	0.0022	0.0018	0.0044
Schistosoma mansoni	hypothetical protein	0.0376	0.3965	1
Schistosoma mansoni	DNA polymerase alpha catalytic subunit	0.0054	0.0374	0.0942
Trypanosoma brucei	RNA helicase, putative	0.0376	0.3965	0.3955
Leishmania major	DNA polymerase I alpha catalytic subunit, putative	0.0023	0.0037	0.002
Trichomonas vaginalis	DNA polymerase alpha catalytic subunit, putative	0.0023	0.0037	0.0077
Echinococcus granulosus	glutamate receptor 2	0.0025	0.0053	0.0421
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0124	0.0313
Schistosoma mansoni	glutamate receptor AMPA	0.003	0.0114	0.0287
Schistosoma mansoni	glutamate receptor kainate	0.003	0.0114	0.0287
Loa Loa (eye worm)	fli-1 protein	0.023	0.2337	0.5018
Trypanosoma brucei	hypothetical protein, conserved	0.003	0.0112	0.0095
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0218	0.22	0.4709
Brugia malayi	Protein kinase domain containing protein	0.0428	0.4545	1
Echinococcus granulosus	DNA polymerase alpha catalytic subunit	0.0054	0.0374	0.4256
Trypanosoma cruzi	DNA polymerase I alpha catalytic subunit, putative	0.0023	0.0037	0.002
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0129	0.1214	0.1198
Mycobacterium ulcerans	3-oxoacyl-ACP synthase	0.0332	0.3477	0.6674
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0031	0.0124	0.1273
Schistosoma mansoni	ATP-binding cassette transporter	0.003	0.0114	0.0287
Entamoeba histolytica	fatty acid elongase, putative	0.0043	0.0257	0.5
Schistosoma mansoni	glutamate receptor kainate	0.003	0.0114	0.0287
Schistosoma mansoni	gabp alpha	0.0076	0.062	0.1563
Plasmodium falciparum	beta-ketoacyl-ACP synthase III	0.0332	0.3477	0.5
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0854	0.1671
Schistosoma mansoni	glutamate receptor NMDA	0.0036	0.0178	0.0448
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0031	0.0124	0.0756
Brugia malayi	Ets-domain containing protein	0.0076	0.062	0.133
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.003	0.0112	0.0095
Brugia malayi	DNA polymerase I family protein	0.0097	0.0854	0.1848
Echinococcus granulosus	DNA polymerase subunit gamma	0.0097	0.0854	1
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0435	0.4615	0.4605
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0484	0.5161	1
Plasmodium vivax	beta-ketoacyl-acyl carrier protein synthase III precursor, putative	0.0332	0.3477	1
Plasmodium vivax	DNA polymerase alpha, putative	0.0044	0.0261	0.0408
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0129	0.1214	0.1198
Loa Loa (eye worm)	camk/mapkapk/mnk protein kinase	0.0428	0.4545	1
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0036	0.0178	0.1914
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0031	0.0124	0.0313
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.003	0.0114	0.1149
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0129	0.1214	0.1198
Loa Loa (eye worm)	hypothetical protein	0.0334	0.3495	0.7631
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0124	0.0023
Toxoplasma gondii	DNA polymerase (pol2) superfamily protein	0.0044	0.0261	0.1727
Trypanosoma brucei	ingi protein (ORF1)	0.003	0.0112	0.0095
Trichomonas vaginalis	set domain proteins, putative	0.0248	0.2535	1
Echinococcus granulosus	glutamate receptor 2	0.0036	0.0178	0.1914
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0918	1	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0036	0.0178	0.1914
Brugia malayi	Glutamate receptor 2 precursor	0.003	0.0114	0.0212
Schistosoma mansoni	phosphoglucomutase	0.0022	0.0018	0.0044
Brugia malayi	Glutamate receptor 1 precursor	0.003	0.0114	0.0212
Entamoeba histolytica	fatty acid elongase, putative	0.0043	0.0257	0.5
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0036	0.0178	0.1914
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0036	0.0178	0.1914
Schistosoma mansoni	DNA polymerase gamma	0.0097	0.0854	0.2154
Echinococcus granulosus	GA binding protein alpha chain	0.0076	0.062	0.72
Entamoeba histolytica	fatty acid elongase, putative	0.0043	0.0257	0.5
Brugia malayi	Fli-1 protein	0.023	0.2337	0.5123
Entamoeba histolytica	fatty acid elongase, putative	0.0043	0.0257	0.5
Echinococcus multilocularis	hypothetical protein	0.0097	0.0854	1
Trypanosoma brucei	DNA polymerase alpha catalytic subunit	0.0023	0.0037	0.002
Mycobacterium ulcerans	beta-ketoacyl synthase-like protein	0.0332	0.3477	0.6674
Trypanosoma brucei	ingi protein (ORF1)	0.003	0.0112	0.0095
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.004	0.0221	0.2433
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0036	0.0178	0.1914
Schistosoma mansoni	glutamate receptor AMPA	0.003	0.0114	0.0287
Echinococcus multilocularis	GA binding protein alpha chain	0.0076	0.062	0.72
Trichomonas vaginalis	DNA polymerase II, putative	0.0023	0.0037	0.0077
Mycobacterium tuberculosis	3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III)	0.0332	0.3477	0.6674
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0029	0.0096	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0435	0.4615	0.4605
Echinococcus multilocularis	glutamate receptor 2	0.0036	0.0178	0.1914
Mycobacterium ulcerans	hypothetical protein	0.0484	0.5161	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0918	1	1
Schistosoma mansoni	ets-related	0.023	0.2337	0.5893
Onchocerca volvulus		0.0031	0.0124	0.0423
Giardia lamblia	DNA polymerase alpha subunit A	0.0045	0.0282	1
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0029	0.0096	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 96 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)	= 96 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: 9929636

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 76837