TDR Targets

Basic information

Technical information

TDR Targets ID: 1497956
Name: 4-[2-(3-fluorophenoxy)acetyl]-1,3-dihydroquin oxalin-2-one
MW: 300.284 | Formula: C16H13FN2O3
H donors: 1 H acceptors: 2 LogP: 2.06 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C1Nc2ccccc2N(C1)C(=O)COc1cccc(c1)F
InChi: 1S/C16H13FN2O3/c17-11-4-3-5-12(8-11)22-10-16(21)19-9-15(20)18-13-6-1-2-7-14(13)19/h1-8H,9-10H2,(H,18,20)
InChiKey: LNXLDRMXQQSICJ-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

4-[2-(3-fluorophenoxy)-1-oxoethyl]-1,3-dihydroquinoxalin-2-one
4-[2-(3-fluorophenoxy)ethanoyl]-1,3-dihydroquinoxalin-2-one
MLS000389080
SMR000255254
ZINC03329000

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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	phosphatidylinositol 3 and 4 kinase	0.0018	0.0378	0.0097
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.2924	0.2713
Schistosoma mansoni	hypothetical protein	0.0177	0.9347	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Plasmodium falciparum	ornithine aminotransferase	0.0022	0.0576	0.5
Mycobacterium ulcerans	hypothetical protein	0.0152	0.7912	1
Echinococcus granulosus	geminin	0.0177	0.9347	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0378	0.009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Toxoplasma gondii	FATC domain-containing protein	0.0025	0.0758	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0378	0.0378
Brugia malayi	TAR-binding protein	0.0063	0.2924	0.2713
Giardia lamblia	GTOR	0.0018	0.0378	0.5
Entamoeba histolytica	hypothetical protein	0.0038	0.1481	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Echinococcus granulosus	tar DNA binding protein	0.0063	0.2924	0.2908
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0562	0.0562
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.2299	0.2068
Plasmodium vivax	ornithine aminotransferase, putative	0.0022	0.0576	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0025	0.0758	0.0482
Schistosoma mansoni	hypothetical protein	0.0038	0.1481	0.1315
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0022	0.0576	0.0295
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0018	0.0378	0.4987
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0018	0.0378	0.0097
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0189	1	0.5
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0018	0.0378	0.4987
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0022	0.0576	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Loa Loa (eye worm)	RNA binding protein	0.0063	0.2924	0.2924
Echinococcus granulosus	ornithine aminotransferase	0.0022	0.0576	0.0316
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2924	0.2908
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0018	0.0378	0.4987
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.1481	0.1315
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0152	0.7912	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0018	0.0378	0.0097
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0022	0.0576	0.5
Echinococcus multilocularis	geminin	0.0177	0.9347	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.2924	0.2924
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.1481	0.1315
Schistosoma mansoni	hypothetical protein	0.0177	0.9347	1
Schistosoma mansoni	hypothetical protein	0.0036	0.1369	0.1191
Entamoeba histolytica	hypothetical protein	0.0038	0.1481	1
Entamoeba histolytica	hypothetical protein	0.0025	0.0758	0.3446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1369	0.1369
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0018	0.0378	0.4987
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.1369	0.1111
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2924	0.2908
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0022	0.0576	0.7604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2924	0.2908
Entamoeba histolytica	hypothetical protein	0.0038	0.1481	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0378	0.009
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Echinococcus multilocularis	serine protein kinase ATM	0.0025	0.0758	0.0517
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0152	0.7912	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.2299	0.2068
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.2924	0.2908
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0018	0.038	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0018	0.0378	0.0097
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0152	0.7912	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.029	0.029
Schistosoma mansoni	ornithine--oxo-acid transaminase	0.0022	0.0576	0.0316
Echinococcus multilocularis	ornithine aminotransferase	0.0022	0.0576	0.0316
Mycobacterium tuberculosis	Probable aminotransferase	0.0152	0.7912	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.029	0.029
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Brugia malayi	RNA binding protein	0.0063	0.2924	0.2713
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0018	0.0378	0.0097
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.2299	0.2299
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Loa Loa (eye worm)	hypothetical protein	0.0052	0.2299	0.2299
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2924	0.2908
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.1481	0.1315
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0758	0.0958
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0018	0.038	0.0052
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0018	0.0378	0.4987
Brugia malayi	hypothetical protein	0.0038	0.1481	0.1226
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.2924	0.2924
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0021	0.0562	0.4849
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0018	0.0378	0.4987
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0025	0.0758	0.0517
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0152	0.7912	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0025	0.0758	1
Entamoeba histolytica	hypothetical protein	0.0038	0.1481	1
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.2924	0.2908
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0025	0.0758	1
Echinococcus granulosus	serine protein kinase ATM	0.0025	0.0758	0.0517
Echinococcus multilocularis	Aminotransferase class III	0.0022	0.0576	0.0316
Echinococcus granulosus	Aminotransferase class III	0.0022	0.0576	0.0316
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0018	0.0378	0.0097
Echinococcus multilocularis	ornithine aminotransferase	0.0022	0.0576	0.0316
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0378	0.0478
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0378	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0189	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	9.285 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	23.1093 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1698931

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1497956