Detailed information for compound 894878

Basic information

Technical information
  • TDR Targets ID: 894878
  • Name: 3-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-N-h ydroxybenzeneamine oxide
  • MW: 246.219 | Formula: C12H10N2O4
  • H donors: 0 H acceptors: 4 LogP: 2.32 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)/C(=C/c1cccc(c1)[N+](=O)[O-])/C#N
  • InChi: 1S/C12H10N2O4/c1-2-18-12(15)10(8-13)6-9-4-3-5-11(7-9)14(16)17/h3-7H,2H2,1H3/b10-6-
  • InChiKey: BUEJQBJZGAURKT-POHAHGRESA-N  

Network

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Synonyms

  • ethyl (Z)-2-cyano-3-(3-nitrophenyl)prop-2-enoate
  • ethyl (Z)-2-cyano-3-[3-(hydroxy-oxidoamino)phenyl]prop-2-enoate
  • 3-[(Z)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-N-hydroxy-benzeneamine oxide
  • ethyl (Z)-2-cyano-3-[3-(hydroxy-oxido-amino)phenyl]prop-2-enoate
  • (Z)-2-cyano-3-[3-(hydroxy-oxidoamino)phenyl]prop-2-enoic acid ethyl ester
  • (Z)-2-cyano-3-(3-nitrophenyl)prop-2-enoic acid ethyl ester
  • (Z)-2-cyano-3-[3-(hydroxy-oxido-amino)phenyl]acrylic acid ethyl ester
  • 3-[(Z)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-N-hydroxy-benzeneamine oxide
  • (Z)-2-cyano-3-(3-nitrophenyl)acrylic acid ethyl ester
  • ZINC04456786
  • 2-Propenoic acid, 2-cyano-3-(3-nitrophenyl)-, ethyl ester
  • Ethyl (2Z)-2-cyano-3-(3-nitrophenyl)-2-propenoate
  • BIM-0009078.P001

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 type II inositol 5-phosphatase, putative 0.0005 0.0053 0.0199
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.2667 0.6023
Echinococcus granulosus cpg binding protein 0.0037 0.4678 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.2667 1
Schistosoma mansoni lamin 0.0033 0.4088 0.4057
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0005 0.0053 0.0199
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.2667 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.1969
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.1969
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.1969
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0005 0.0053 0.0199
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.2667 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.1969
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.2667 0.5651
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.1969
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0634 0.1257
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.1969
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.2667 1
Onchocerca volvulus 0.0035 0.4393 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.1658 0.3699
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0005 0.0053 0.0199
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0634 0.1257
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.2667 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.2667 1
Echinococcus granulosus intermediate filament protein 0.0033 0.4088 0.8724
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.1969
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0005 0.0053 0.0199
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.8867 1
Toxoplasma gondii exonuclease III APE 0.0023 0.2667 0.2966
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0939 0.1916
Onchocerca volvulus 0.0033 0.4088 0.9297
Loa Loa (eye worm) hypothetical protein 0.0015 0.1572 0.3501
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.1969
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.1908 0.4273
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.2667 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.2667 1
Schistosoma mansoni cpg binding protein 0.0037 0.4678 0.465
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0939 0.1916
Schistosoma mansoni intermediate filament proteins 0.0033 0.4088 0.4057
Loa Loa (eye worm) hypothetical protein 0.0015 0.1572 0.3501
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.1658 0.3471
Schistosoma mansoni cpg binding protein 0.0035 0.4393 0.4363
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0005 0.0053 0.0199
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.1908 0.4273
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0005 0.0053 0.0199
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0525 0.1969
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0939 0.2042
Loa Loa (eye worm) hypothetical protein 0.0033 0.4088 0.9297
Brugia malayi intermediate filament protein 0.0033 0.4088 0.9297
Echinococcus granulosus lamin 0.0033 0.4088 0.8724
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.2667 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.4393 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.1969
Echinococcus multilocularis musashi 0.0033 0.4088 0.8724
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.4088 0.9297
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.2667 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.1969
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0005 0.0053 0.0199
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.1969
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.2667 1
Echinococcus granulosus lamin dm0 0.0033 0.4088 0.8724
Trichomonas vaginalis Phospholipase C precursor, putative 0.0005 0.0053 0.0199
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0634 0.0584
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.1969
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.1658 0.3471
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0634 0.1257
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.2667 0.5651
Schistosoma mansoni ap endonuclease 0.0023 0.2667 0.2628
Schistosoma mansoni lamin 0.0033 0.4088 0.4057
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.2667 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.2667 1
Schistosoma mansoni cpg binding protein 0.0037 0.4678 0.465
Onchocerca volvulus 0.0033 0.4088 0.9297
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.2667 0.6023
Echinococcus multilocularis lamin dm0 0.0033 0.4088 0.8724
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0525 0.1969
Loa Loa (eye worm) hypothetical protein 0.0032 0.4002 0.9099
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.092 0.1996
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 0.1969
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0634 0.1257
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.2667 1
Echinococcus multilocularis cpg binding protein 0.0037 0.4678 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.4393 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.1969
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 0.1969
Trichomonas vaginalis helicase, putative 0.0008 0.0525 0.1969
Schistosoma mansoni ap endonuclease 0.0023 0.2667 0.2628
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0109 0.0056
Echinococcus multilocularis lamin 0.0033 0.4088 0.8724
Loa Loa (eye worm) intermediate filament protein 0.0033 0.4088 0.9297
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.4088 0.9297

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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