Detailed information for compound 792742

Basic information

Technical information
  • TDR Targets ID: 792742
  • Name: 5-nitro-6-[2-(2-prop-2-enoxyphenyl)ethenyl]-1 H-pyrimidine-2,4-dione
  • MW: 315.281 | Formula: C15H13N3O5
  • H donors: 2 H acceptors: 6 LogP: 3.46 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCOc1ccccc1C=Cc1nc(O)nc(c1[N+](=O)[O-])O
  • InChi: 1S/C15H13N3O5/c1-2-9-23-12-6-4-3-5-10(12)7-8-11-13(18(21)22)14(19)17-15(20)16-11/h2-8H,1,9H2,(H2,16,17,19,20)/b8-7+
  • InChiKey: KSJKLIWETLGBIM-BQYQJAHWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-nitro-6-[(E)-2-(2-prop-2-enoxyphenyl)ethenyl]-1H-pyrimidine-2,4-dione
  • 6-[2-(2-allyloxyphenyl)vinyl]-5-nitro-1H-pyrimidine-2,4-dione
  • 6-[(E)-2-(2-allyloxyphenyl)vinyl]-5-nitro-1H-pyrimidine-2,4-dione
  • 6-[2-(2-allyloxyphenyl)vinyl]-5-nitro-uracil
  • 6-[(E)-2-(2-allyloxyphenyl)vinyl]-5-nitro-uracil
  • ZINC04727688
  • A3869/0164377

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
Brugia malayi TAR-binding protein 0.0068 0.3726 0.481
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0039 0.1786 0.4272
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0357 0.0855
Toxoplasma gondii exonuclease III APE 0.0039 0.1786 0.6937
Echinococcus multilocularis tar DNA binding protein 0.0068 0.3726 0.8914
Toxoplasma gondii thioredoxin reductase 0.0051 0.2574 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0013 0.0045 0.0059
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.692 0.8837
Schistosoma mansoni ap endonuclease 0.0039 0.1786 0.1786
Trichomonas vaginalis chromobox protein, putative 0.0075 0.418 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0018 0.0357 0.1389
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3726 0.3726
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0128 0.7783 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0039 0.1786 1
Loa Loa (eye worm) glutathione reductase 0.0051 0.2574 0.3323
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1984 0.4746
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0039 0.1786 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.0357 0.1389
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.1984 0.9031
Mycobacterium tuberculosis Probable oxidoreductase 0.0128 0.7783 1
Loa Loa (eye worm) mucolipin 1 0.0065 0.3532 0.4559
Trichomonas vaginalis chromobox protein, putative 0.0045 0.2196 0.5254
Loa Loa (eye worm) TAR-binding protein 0.0068 0.3726 0.481
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0039 0.1786 0.6443
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3726 0.3726
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.692 0.8837
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.7747 1
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.0357 0.1389
Onchocerca volvulus 0.0033 0.1378 0.6276
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.2574 0.6158
Loa Loa (eye worm) RNA binding protein 0.0068 0.3726 0.481
Loa Loa (eye worm) hypothetical protein 0.0033 0.1378 0.1779
Trichomonas vaginalis conserved hypothetical protein 0.003 0.1166 0.2789
Leishmania major trypanothione reductase 0.0051 0.2574 1
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.2574 1
Trichomonas vaginalis glutathione reductase, putative 0.0018 0.0357 0.0855
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.2574 1
Trichomonas vaginalis chromobox protein, putative 0.0075 0.418 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0013 0.0045 0.0059
Echinococcus granulosus mucolipin 3 0.0065 0.3532 0.8449
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.7747 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0039 0.1786 0.4272
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3726 0.3726
Plasmodium falciparum glutathione reductase 0.0051 0.2574 1
Trichomonas vaginalis mercuric reductase, putative 0.0018 0.0357 0.0855
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0039 0.1786 1
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.1786 0.4272
Echinococcus multilocularis mucolipin 3 0.0065 0.3532 0.8449
Schistosoma mansoni chromobox protein 0.0075 0.418 0.418
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0128 0.7783 1
Brugia malayi chromobox protein homolog 3 0.0042 0.1984 0.2561
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.0357 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0128 0.7783 1
Plasmodium vivax glutathione reductase, putative 0.0051 0.2574 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.1786 0.6937
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0039 0.1786 1
Brugia malayi exodeoxyribonuclease III family protein 0.0039 0.1786 0.2305
Brugia malayi glutathione reductase 0.0051 0.2574 0.3323
Plasmodium falciparum thioredoxin reductase 0.0018 0.0357 0.1389
Brugia malayi Thioredoxin reductase 0.0051 0.2574 0.3323
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0039 0.1786 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0039 0.1786 0.1923
Echinococcus granulosus chromobox protein 1 0.0075 0.418 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0039 0.1786 0.2305
Schistosoma mansoni mucolipin 0.006 0.3168 0.3168
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3726 0.3726
Mycobacterium tuberculosis Probable reductase 0.0116 0.692 0.8837
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.3726 0.481
Brugia malayi RNA binding protein 0.0068 0.3726 0.481
Loa Loa (eye worm) hypothetical protein 0.0042 0.1984 0.2561
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0357 0.0461
Plasmodium falciparum thioredoxin reductase 0.0051 0.2574 1
Trypanosoma brucei trypanothione reductase 0.0051 0.2574 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.1984 0.4746
Echinococcus granulosus chromobox protein 1 0.0075 0.418 1
Brugia malayi MH2 domain containing protein 0.0128 0.7747 1
Schistosoma mansoni tar DNA-binding protein 0.0068 0.3726 0.3726
Echinococcus multilocularis chromobox protein 1 0.0075 0.418 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.692 0.8837
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0039 0.1786 0.6443
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0357 0.0855
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.2574 0.6158
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.2574 0.3323
Loa Loa (eye worm) heterochromatin protein 1 0.0075 0.418 0.5396
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.2574 0.2985
Brugia malayi Coelomocyte uptake defective protein 5 0.0065 0.3532 0.4559
Trichomonas vaginalis conserved hypothetical protein 0.003 0.1166 0.2789
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.692 0.8837
Plasmodium falciparum glutathione reductase 0.0018 0.0357 0.1389
Echinococcus multilocularis chromobox protein 1 0.0075 0.418 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0039 0.1786 0.6443
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0039 0.1786 0.6937
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0018 0.0357 0.1389
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.3726 0.481
Echinococcus granulosus tar DNA binding protein 0.0068 0.3726 0.8914
Trichomonas vaginalis chromobox protein, putative 0.0045 0.2196 0.5254
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.0357 0.1389
Schistosoma mansoni ap endonuclease 0.0039 0.1786 0.1786
Brugia malayi Heterochromatin protein 1 0.0075 0.418 0.5396
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.0357 0.1389
Schistosoma mansoni chromobox protein 0.0075 0.418 0.418
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.2196 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.692 0.8837
Schistosoma mansoni mucolipin 0.0065 0.3532 0.3532
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0039 0.1786 0.6443
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0357 0.0357
Trichomonas vaginalis ap endonuclease, putative 0.0039 0.1786 0.4272

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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