Detailed information for compound 756336

Basic information

Technical information
  • TDR Targets ID: 756336
  • Name: ethyl 2-(4-nitro-1,3-dioxoisoindol-2-yl)aceta te
  • MW: 278.218 | Formula: C12H10N2O6
  • H donors: 0 H acceptors: 5 LogP: 1.02 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]
  • InChi: 1S/C12H10N2O6/c1-2-20-9(15)6-13-11(16)7-4-3-5-8(14(18)19)10(7)12(13)17/h3-5H,2,6H2,1H3
  • InChiKey: GKFMLXIUJKKVSZ-UHFFFAOYSA-N  

Network

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Synonyms

  • ethyl 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetate
  • 2-(4-nitro-1,3-dioxo-2-isoindolinyl)acetic acid ethyl ester
  • 2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetic acid ethyl ester
  • ethyl 2-(4-nitro-1,3-dioxo-isoindol-2-yl)ethanoate
  • ZINC00178058
  • Oprea1_188503

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
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0001 0.0001
Loa Loa (eye worm) RecQ helicase 0.002 0.0029 0.0028
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.0724 0.9645
Entamoeba histolytica recQ family helicase, putative 0.002 0.0029 0.3767
Brugia malayi Peroxidasin 0.344 1 1
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.0724 0.9645
Onchocerca volvulus Slit protein homolog 0.1034 0.2987 0.2952
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0096 0.0251 0.0237
Mycobacterium ulcerans glutaminase 0.0267 0.075 1
Brugia malayi EGF-like domain containing protein 0.1034 0.2987 0.2978
Schistosoma mansoni hypothetical protein 0.0096 0.0251 0.0251
Loa Loa (eye worm) hypothetical protein 0.0012 0.0008 0.0007
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Echinococcus multilocularis protein jagged 1 0.1034 0.2987 0.298
Schistosoma mansoni intermediate filament proteins 0.0027 0.005 0.005
Echinococcus granulosus notch 0.1034 0.2987 0.298
Echinococcus granulosus slit 2 protein 0.1034 0.2987 0.298
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.005 0.0049
Echinococcus granulosus fibropellin Ia 0.1034 0.2987 0.298
Brugia malayi follicle stimulating hormone receptor 0.0457 0.1305 0.1294
Loa Loa (eye worm) Notch2 0.1034 0.2987 0.2986
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0077 0.0068
Echinococcus multilocularis muscleblind protein 1 0.015 0.041 0.0401
Echinococcus granulosus survival motor neuron protein 1 0.0469 0.1338 0.133
Brugia malayi EGF-like domain containing protein 0.1034 0.2987 0.2978
Loa Loa (eye worm) hypothetical protein 0.344 1 1
Brugia malayi Animal haem peroxidase family protein 0.344 1 1
Trichomonas vaginalis glutaminase, putative 0.0267 0.075 1
Brugia malayi Cadherin domain containing protein 0.1034 0.2987 0.2978
Loa Loa (eye worm) notch protein 0.1034 0.2987 0.2986
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0124 0.0123
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0077 0.0068
Onchocerca volvulus 0.1034 0.2987 0.2952
Loa Loa (eye worm) hypothetical protein 0.344 1 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0029 0.002
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Echinococcus granulosus protein jagged 1 0.1034 0.2987 0.298
Brugia malayi EGF-like domain containing protein 0.1034 0.2987 0.2978
Schistosoma mansoni laminin gamma-3 chain 0.1034 0.2987 0.2987
Brugia malayi Delta serrate ligand family protein 0.1034 0.2987 0.2978
Echinococcus multilocularis fibropellin Ia 0.1034 0.2987 0.298
Echinococcus multilocularis neurogenic locus notch protein 0.1034 0.2987 0.298
Echinococcus granulosus neurogenic locus notch protein 4 0.1034 0.2987 0.298
Echinococcus multilocularis neurogenic locus protein delta 0.1034 0.2987 0.298
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Schistosoma mansoni notch 0.1034 0.2987 0.2987
Echinococcus multilocularis lamin dm0 0.0027 0.005 0.004
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0029 0.002
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.0724 0.9645
Schistosoma mansoni hypothetical protein 0.1034 0.2987 0.2987
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0135 0.0126
Brugia malayi Animal haem peroxidase family protein 0.344 1 1
Schistosoma mansoni cell polarity protein 0.1034 0.2987 0.2987
Onchocerca volvulus 0.344 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.0465 0.6055
Onchocerca volvulus 0.1034 0.2987 0.2952
Echinococcus granulosus lamin 0.0027 0.005 0.004
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.0465 0.6055
Brugia malayi EGF-like domain containing protein 0.1034 0.2987 0.2978
Echinococcus granulosus neurogenic locus notch protein 0.1034 0.2987 0.298
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Schistosoma mansoni hypothetical protein 0.1034 0.2987 0.2987
Schistosoma mansoni DNA helicase recq5 0.002 0.0029 0.0029
Schistosoma mansoni notch 0.1034 0.2987 0.2987
Schistosoma mansoni hypothetical protein 0.1034 0.2987 0.2987
Brugia malayi EGF-like domain containing protein 0.1034 0.2987 0.2978
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0258 0.0724 0.0711
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.081 0.2334 0.2326
Schistosoma mansoni peroxidasin 0.344 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.005 0.0049
Echinococcus multilocularis notch 0.1034 0.2987 0.298
Onchocerca volvulus Peroxidasin homolog 0.344 1 1
Loa Loa (eye worm) hypothetical protein 0.344 1 1
Loa Loa (eye worm) hypothetical protein 0.344 1 1
Echinococcus multilocularis peroxidasin 0.344 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.005 0.0036
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.0465 0.6055
Echinococcus granulosus c-Jun N-terminal kinases 0.023 0.0643 0.0634
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0001 0.5
Schistosoma mansoni notch 0.1034 0.2987 0.2987
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0029 0.0016
Schistosoma mansoni hypothetical protein 0.1034 0.2987 0.2987
Schistosoma mansoni DNA helicase recq1 0.002 0.0029 0.0029
Echinococcus granulosus protein jagged 1 0.1034 0.2987 0.298
Echinococcus granulosus neurogenic locus protein delta 0.1034 0.2987 0.298
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0029 0.002
Onchocerca volvulus 0.0096 0.0251 0.0202
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0029 0.5
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Loa Loa (eye worm) hypothetical protein 0.0469 0.1338 0.1337
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Onchocerca volvulus Peroxidase homolog 0.344 1 1
Loa Loa (eye worm) glutaminase 0.0267 0.075 0.0749
Brugia malayi GCC2 and GCC3 family protein 0.1034 0.2987 0.2978
Schistosoma mansoni survival motor neuron protein 0.0096 0.0251 0.0251
Mycobacterium ulcerans aldehyde dehydrogenase 0.0122 0.0327 0.312
Echinococcus multilocularis bloom syndrome protein 0.002 0.0029 0.002
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0029 0.002
Loa Loa (eye worm) hypothetical protein 0.015 0.041 0.0409
Echinococcus granulosus bloom syndrome protein 0.002 0.0029 0.002
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0258 0.0724 0.0723
Schistosoma mansoni aldehyde dehydrogenase 0.0122 0.0327 0.0327
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0014 0.0013
Entamoeba histolytica hypothetical protein 0.0036 0.0077 1
Toxoplasma gondii aldehyde dehydrogenase 0.0122 0.0327 0.1094
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0029 0.0098
Echinococcus multilocularis protein jagged 2 0.1034 0.2987 0.298
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.0135 0.0122
Echinococcus multilocularis slit 2 protein 0.1034 0.2987 0.298
Brugia malayi Animal haem peroxidase family protein 0.344 1 1
Loa Loa (eye worm) hypothetical protein 0.344 1 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0029 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.001 0.0008
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Loa Loa (eye worm) animal heme peroxidase 0.344 1 1
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Toxoplasma gondii EGF family domain-containing protein 0.1034 0.2987 1
Brugia malayi EGF-like domain containing protein 0.1034 0.2987 0.2978
Brugia malayi Calcium binding EGF domain containing protein 0.1034 0.2987 0.2978
Onchocerca volvulus Glucosylceramidase homolog 0.0169 0.0465 0.0418
Entamoeba histolytica hypothetical protein 0.0036 0.0077 1
Brugia malayi Animal haem peroxidase family protein 0.344 1 1
Loa Loa (eye worm) hypothetical protein 0.344 1 1
Onchocerca volvulus Chorion peroxidase homolog 0.344 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0492 0.6424
Loa Loa (eye worm) hypothetical protein 0.344 1 1
Loa Loa (eye worm) hypothetical protein 0.344 1 1
Echinococcus granulosus protein jagged 2 0.1034 0.2987 0.298
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Brugia malayi Muscle positioning protein 4 0.1034 0.2987 0.2978
Echinococcus multilocularis fat cadherin tumor suppressor 0.1034 0.2987 0.298
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0029 0.5
Brugia malayi EGF-like domain containing protein 0.1034 0.2987 0.2978
Echinococcus granulosus peroxidasin 0.344 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.0724 0.9645
Onchocerca volvulus 0.1034 0.2987 0.2952
Onchocerca volvulus Neurogenic locus notch protein homolog 0.1034 0.2987 0.2952
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0077 0.0077
Loa Loa (eye worm) CMGC/MAPK/JNK protein kinase 0.023 0.0643 0.0642
Loa Loa (eye worm) hypothetical protein 0.002 0.0029 0.0028
Schistosoma mansoni serine/threonine protein kinase 0.023 0.0643 0.0643
Entamoeba histolytica hypothetical protein 0.0036 0.0077 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0029 0.0016
Loa Loa (eye worm) hypothetical protein 0.344 1 1
Loa Loa (eye worm) hypothetical protein 0.344 1 1
Onchocerca volvulus 0.1034 0.2987 0.2952
Brugia malayi hypothetical protein 0.0469 0.1338 0.1327
Brugia malayi Calcium binding EGF domain containing protein 0.1034 0.2987 0.2978
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Loa Loa (eye worm) hypothetical protein 0.344 1 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.0135 0.3559
Schistosoma mansoni slit 0.1034 0.2987 0.2987
Onchocerca volvulus 0.1034 0.2987 0.2952
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Schistosoma mansoni septate junction protein 0.1034 0.2987 0.2987
Echinococcus granulosus neural cadherin 0.1034 0.2987 0.298
Mycobacterium ulcerans aldehyde dehydrogenase 0.0122 0.0327 0.312
Schistosoma mansoni glutaminase 0.0267 0.075 0.075
Echinococcus multilocularis neurogenic locus notch protein 0.1034 0.2987 0.298
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.0465 0.6055
Brugia malayi glutaminase DH11.1 0.0267 0.075 0.0737
Echinococcus granulosus neurogenic locus notch protein 0.1034 0.2987 0.298
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0122 0.0327 1
Schistosoma mansoni lamin 0.0027 0.005 0.005
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0122 0.0327 0.0318
Loa Loa (eye worm) animal heme peroxidase 0.344 1 1
Schistosoma mansoni hypothetical protein 0.1034 0.2987 0.2987
Loa Loa (eye worm) animal heme peroxidase 0.344 1 1
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Echinococcus multilocularis c Jun NH2 terminal kinase 0.023 0.0643 0.0634
Brugia malayi Blistered cuticle protein 3 0.344 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0457 0.1305 0.1304
Loa Loa (eye worm) hypothetical protein 0.344 1 1
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0029 0.5
Brugia malayi Cadherin domain containing protein 0.1034 0.2987 0.2978
Echinococcus multilocularis neurogenic locus protein delta 0.1034 0.2987 0.298
Schistosoma mansoni hypothetical protein 0.1034 0.2987 0.2987
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0029 0.0016
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0029 0.0028
Onchocerca volvulus 0.344 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.0465 0.6055
Schistosoma mansoni lamin 0.0027 0.005 0.005
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0001 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0135 0.0126
Echinococcus granulosus muscleblind protein 0.015 0.041 0.0401
Loa Loa (eye worm) blistered cuticle protein 3 0.344 1 1
Schistosoma mansoni hypothetical protein 0.1034 0.2987 0.2987
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0001 0.0004
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.0135 0.0135
Brugia malayi hypothetical protein 0.0036 0.0077 0.0064
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Schistosoma mansoni notch 0.1034 0.2987 0.2987
Trichomonas vaginalis glucosylceramidase, putative 0.0178 0.0492 0.6424
Brugia malayi notch-like transmembrane receptor 0.1034 0.2987 0.2978
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Echinococcus granulosus lamin dm0 0.0027 0.005 0.004
Loa Loa (eye worm) hypothetical protein 0.0026 0.0048 0.0047
Loa Loa (eye worm) glutaminase 2 0.0267 0.075 0.0749
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.0724 0.9645
Echinococcus granulosus intermediate filament protein 0.0027 0.005 0.004
Loa Loa (eye worm) hypothetical protein 0.001 0.0001 0.000000000023612
Loa Loa (eye worm) animal heme peroxidase 0.344 1 1
Echinococcus multilocularis protein jagged 1 0.1034 0.2987 0.298
Onchocerca volvulus Peroxidasin homolog 0.344 1 1
Onchocerca volvulus Neurogenic locus notch homolog 0.1034 0.2987 0.2952
Onchocerca volvulus Peroxidase homolog 0.344 1 1
Loa Loa (eye worm) hypothetical protein 0.015 0.041 0.0409
Loa Loa (eye worm) intermediate filament protein 0.0027 0.005 0.0049
Loa Loa (eye worm) hypothetical protein 0.0012 0.0008 0.0007
Loa Loa (eye worm) hypothetical protein 0.344 1 1
Onchocerca volvulus Dual oxidase homolog 0.344 1 1
Loa Loa (eye worm) hypothetical protein 0.344 1 1
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Echinococcus granulosus protein jagged 2 0.1034 0.2987 0.298
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.1034 0.2987 0.2978
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0122 0.0327 0.0318
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.0465 0.6055
Echinococcus multilocularis muscleblind protein 0.015 0.041 0.0401
Schistosoma mansoni peroxidasin 0.344 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0122 0.0327 0.312
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0122 0.0327 1
Giardia lamblia High cysteine protein 0.1034 0.2987 1
Schistosoma mansoni notch 0.1034 0.2987 0.2987
Trichomonas vaginalis glucosylceramidase, putative 0.0169 0.0465 0.6055
Brugia malayi Animal haem peroxidase family protein 0.344 1 1
Loa Loa (eye worm) hypothetical protein 0.1034 0.2987 0.2986
Entamoeba histolytica recQ family DNA helicase 0.001 0.0001 0.0143
Echinococcus multilocularis lamin 0.0027 0.005 0.004
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.1034 0.2987 0.2987
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0029 0.0098
Onchocerca volvulus 0.344 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0258 0.0724 0.9645
Brugia malayi Calcium binding EGF domain containing protein 0.1034 0.2987 0.2978
Brugia malayi Muscleblind-like protein 0.015 0.041 0.0397
Brugia malayi Stress-activated protein kinase jnk-1 0.023 0.0643 0.063
Echinococcus multilocularis survival motor neuron protein 1 0.0469 0.1338 0.133
Brugia malayi intermediate filament protein 0.0027 0.005 0.0036
Onchocerca volvulus Putative cubilin 0.1034 0.2987 0.2952
Echinococcus multilocularis musashi 0.0027 0.005 0.004
Schistosoma mansoni notch 0.1034 0.2987 0.2987
Schistosoma mansoni hypothetical protein 0.0036 0.0077 0.0077
Echinococcus multilocularis neurogenic locus notch protein 4 0.1034 0.2987 0.298
Entamoeba histolytica hypothetical protein 0.0036 0.0077 1
Echinococcus granulosus delta-like protein 1 0.1034 0.2987 0.298
Echinococcus multilocularis neural cadherin 0.1034 0.2987 0.298
Schistosoma mansoni aldehyde dehydrogenase 0.0122 0.0327 0.0327

Activities

No activities found for this compound.

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

Bibliographic References

No literature references available for this target.

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