Detailed information for compound 305710

Basic information

Technical information
  • TDR Targets ID: 305710
  • Name: (E)-3-(2,4-dioxopyrimidin-1-yl)prop-2-enal
  • MW: 166.134 | Formula: C7H6N2O3
  • H donors: 1 H acceptors: 3 LogP: -1.19 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C/C=C/n1ccc(=O)[nH]c1=O
  • InChi: 1S/C7H6N2O3/c10-5-1-3-9-4-2-6(11)8-7(9)12/h1-5H,(H,8,11,12)/b3-1+
  • InChiKey: HWONZTOPTYHAOP-HNQUOIGGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-3-(2,4-dioxo-1-pyrimidinyl)-2-propenal
  • (E)-3-(2,4-diketopyrimidin-1-yl)acrolein
  • uracil-2-propenal
  • (E)-3-(2,4-dioxo-1-pyrimidinyl)prop-2-enal
  • 86798-57-4
  • 2-Propenal, 3-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-

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 hypothetical protein 0.0039 0.0361 0.1158
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0015 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0015 0.0038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0015 0.0038
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0041 0.0395 0.0408
Loa Loa (eye worm) hypothetical protein 0.0058 0.0682 0.1747
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0015 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0015 0.0038
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0015 0.0048
Loa Loa (eye worm) hypothetical protein 0.0041 0.0395 0.1011
Loa Loa (eye worm) hypothetical protein 0.0039 0.0361 0.0924
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0015 0.0038
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0015 0.0048
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0201 0.3209 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0015 0.0048
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0015 0.0048
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0395 0.0408
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0275 0.0882
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0041 0.0395 0.1266
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0015 0.0038
Mycobacterium ulcerans oxidoreductase 0.0041 0.0395 0.0395
Loa Loa (eye worm) hypothetical protein 0.0034 0.0275 0.0704
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0015 0.0038
Trypanosoma brucei unspecified product 0.0019 0 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0015 0.0048
Echinococcus multilocularis protoporphyrinogen oxidase 0.0041 0.0395 0.1266
Schistosoma mansoni thyroid hormone receptor 0.002 0.0015 0.0048
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0015 0.0048
Entamoeba histolytica hypothetical protein 0.0035 0.0288 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0015 0.0038
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0015 0.0048
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0275 0.0882
Brugia malayi SWIRM domain containing protein 0.0041 0.0395 0.1011
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0201 0.3209 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0275 0.0882
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0275 0.0882
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0015 0.0048
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0015 0.0048
Brugia malayi amine oxidase, flavin-containing family protein 0.0041 0.0395 0.1011
Brugia malayi Pre-SET motif family protein 0.0034 0.0275 0.0704
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0015 0.0048
Echinococcus granulosus lysine specific histone demethylase 1A 0.0041 0.0395 0.1266
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0015 0.0038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0015 0.0038
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0201 0.3209 0.3209
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0545 0.9272 1
Schistosoma mansoni amine oxidase 0.0041 0.0395 0.1266
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0275 0.0882
Loa Loa (eye worm) hypothetical protein 0.0041 0.0395 0.1011
Loa Loa (eye worm) hypothetical protein 0.002 0.0015 0.0038
Loa Loa (eye worm) hypothetical protein 0.0041 0.0395 0.1011
Brugia malayi nuclear hormone receptor 0.002 0.0015 0.0038
Giardia lamblia DINP protein human, muc B family 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0015 0.0038
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0015 0.0048
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0015 0.0048
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0015 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0015 0.0038
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0275 0.0882
Toxoplasma gondii histone lysine-specific demethylase 0.0041 0.0395 0.0408
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0201 0.3209 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0015 0.0038
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0015 0.0048
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0253 0.081
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0015 0.0038
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0015 0.0048
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0041 0.0395 0.0408
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0015 0.0038
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.0682 0.1747
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0015 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0015 0.0038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0015 0.0038
Brugia malayi nuclear receptor NHR-88 0.002 0.0015 0.0038
Mycobacterium tuberculosis Conserved hypothetical protein 0.0041 0.0395 0.0426
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0015 0.0038
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0275 0.0882
Loa Loa (eye worm) hypothetical protein 0.002 0.0015 0.0038
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0288 0.0923
Onchocerca volvulus 0.0034 0.0275 0.0581
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0201 0.3209 0.5
Plasmodium falciparum enoyl-acyl carrier reductase 0.0201 0.3209 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0015 0.0048
Trichomonas vaginalis hypothetical protein 0.0201 0.3209 0.7145
Echinococcus multilocularis geminin 0.0196 0.3118 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0041 0.0395 0.1266
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.0682 0.1747
Trichomonas vaginalis set domain proteins, putative 0.0274 0.4491 1
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0015 0.0038
Schistosoma mansoni hypothetical protein 0.0035 0.0288 0.0923
Brugia malayi ecdysteroid receptor 0.002 0.0015 0.0038
Echinococcus multilocularis 0.0041 0.0395 0.1266
Loa Loa (eye worm) hypothetical protein 0.002 0.0015 0.0038
Loa Loa (eye worm) hypothetical protein 0.0041 0.0395 0.1011
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0395 0.0408
Echinococcus granulosus geminin 0.0196 0.3118 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0041 0.0395 0.0395
Schistosoma mansoni coup transcription factor 0.002 0.0015 0.0048
Schistosoma mansoni thyroid hormone receptor 0.002 0.0015 0.0048
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0015 0.0048
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0015 0.0038
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0201 0.3209 1
Leishmania major UDP-galactopyranose mutase 0.0041 0.0395 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0015 0.0048
Entamoeba histolytica hypothetical protein 0.0035 0.0288 1
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0015 0.0038
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0041 0.0395 0.0408
Trypanosoma cruzi UDP-galactopyranose mutase 0.0041 0.0395 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0015 0.0048
Brugia malayi Pre-SET motif family protein 0.024 0.3905 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0586 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0015 0.0048
Brugia malayi steroid hormone receptor 0.002 0.0015 0.0038
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.0682 0.1747
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0015 0.0038
Loa Loa (eye worm) hypothetical protein 0.0041 0.0395 0.1011
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.002 0.0015 0.0048
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0015 0.0048
Brugia malayi hypothetical protein 0.0041 0.0395 0.1011
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0015 0.0038
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0288 0.0923
Mycobacterium ulcerans dehydrogenase 0.0041 0.0395 0.0395
Schistosoma mansoni hypothetical protein 0.0196 0.3118 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0015 0.0038
Mycobacterium tuberculosis Possible oxidoreductase 0.0041 0.0395 0.0426
Schistosoma mansoni amine oxidase 0.0041 0.0395 0.1266
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0288 0.0923
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0041 0.0395 0.1266
Onchocerca volvulus 0.0274 0.4491 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0 0.5
Onchocerca volvulus 0.0041 0.0395 0.0849
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0361 0.0924
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.024 0.3905 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0015 0.0048
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0015 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0015 0.0038
Echinococcus granulosus lysine specific histone demethylase 1A 0.0041 0.0395 0.1266
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0288 1
Mycobacterium ulcerans monoamine oxidase 0.0041 0.0395 0.0395
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0015 0.0048
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0288 1
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0015 0.0048
Brugia malayi hypothetical protein 0.0035 0.0288 0.0737
Loa Loa (eye worm) hypothetical protein 0.002 0.0015 0.0038
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0015 0.0038
Schistosoma mansoni nuclear hormone receptor 0.002 0.0015 0.0048
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0395 0.1011
Schistosoma mansoni hypothetical protein 0.0196 0.3118 1
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0201 0.3209 0.346
Loa Loa (eye worm) hypothetical protein 0.002 0.0015 0.0038
Trypanosoma cruzi UDP-galactopyranose mutase 0.0041 0.0395 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 30 uM Inhibition of macromolecular synthesis in HeLa cells asayed by the incorporation of radioactive thymidine into DNA ChEMBL. 6205151
IC50 (functional) = 30 uM Inhibition of macromolecular synthesis in HeLa cells assayed by the incorporation of radioactive uridine into RNA ChEMBL. 6205151
IC50 (functional) = 30 uM Inhibition of macromolecular synthesis in HeLa cells assayed by the incorporation of radioactive leucine into protein ChEMBL. 6205151
IC50 (functional) = 30 uM Inhibition of macromolecular synthesis in HeLa cells asayed by the incorporation of radioactive thymidine into DNA ChEMBL. 6205151
IC50 (functional) = 30 uM Inhibition of macromolecular synthesis in HeLa cells assayed by the incorporation of radioactive uridine into RNA ChEMBL. 6205151
IC50 (functional) = 30 uM Inhibition of macromolecular synthesis in HeLa cells assayed by the incorporation of radioactive leucine into protein ChEMBL. 6205151
ID50 (functional) = 4 uM Inhibition of HeLa cells growth (cytotoxicity) ChEMBL. 6205151
ID50 (functional) = 4 uM Inhibition of HeLa cells growth (cytotoxicity) ChEMBL. 6205151

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

1 literature reference was collected for this gene.

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