Detailed information for compound 1497956

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  


Substructure search Similarity search

Network

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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
Obtained from network model

Ranking Plot

Putative Targets List

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

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

Bibliographic References

No literature references available for this target.

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