Detailed information for compound 647489

Basic information

Technical information
  • TDR Targets ID: 647489
  • Name: (4E)-4-(2,5-dimethoxybenzylidene)-5-methyl-2- phenyl-pyrazol-3-one
  • MW: 322.358 | Formula: C19H18N2O3
  • H donors: 0 H acceptors: 1 LogP: 3.34 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)C=C1C(=NN(C1=O)c1ccccc1)C)OC
  • InChi: 1S/C19H18N2O3/c1-13-17(12-14-11-16(23-2)9-10-18(14)24-3)19(22)21(20-13)15-7-5-4-6-8-15/h4-12H,1-3H3/b17-12+
  • InChiKey: FWTDLYKEXGDOTC-SFQUDFHCSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4E)-4-(2,5-Dimethoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
  • (4E)-4-[(2,5-dimethoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
  • (4E)-4-[(2,5-dimethoxyphenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one
  • (4E)-4-[(2,5-dimethoxyphenyl)methylene]-5-methyl-2-phenyl-3-pyrazolone
  • (4E)-4-[(2,5-dimethoxyphenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one
  • 4-(2,5-dimethoxybenzylidene)-5-methyl-2-phenyl-pyrazol-3-one
  • 4-(2,5-Dimethoxy-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
  • 4-[(2,5-dimethoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
  • 4-[(2,5-dimethoxyphenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one
  • 4-[(2,5-dimethoxyphenyl)methylene]-5-methyl-2-phenyl-3-pyrazolone
  • 4-[(2,5-dimethoxyphenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one
  • BAS 00221273
  • NSC611104
  • Pyrazol-5(4H)-one, 4-(2,5-dimethoxybenzylideno)-3-methyl-1-phenyl-
  • ZINC04036974

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 lamin 0.0053 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.893 0.893
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0674 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0674 0.5
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0025 0.2587 0.2051
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0674 0.5
Onchocerca volvulus 0.0053 1 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0028 0.3348 0.2867
Brugia malayi Intermediate filament tail domain containing protein 0.0053 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.2376 1
Brugia malayi cytoplasmic intermediate filament protein 0.0028 0.3348 0.3348
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0025 0.2587 0.2051
Loa Loa (eye worm) hypothetical protein 0.0052 0.9738 0.9719
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0674 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.2587 0.2051
Loa Loa (eye worm) intermediate filament protein 0.0053 1 1
Leishmania major hypothetical protein, conserved 0.0025 0.2376 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.2325 0.177
Echinococcus granulosus lamin 0.0053 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.4735 0.4355
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.2376 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.4735 0.4355
Onchocerca volvulus 0.0053 1 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.2376 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.2376 1
Loa Loa (eye worm) hypothetical protein 0.0053 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.893 0.8852
Schistosoma mansoni lamin 0.0053 1 1
Echinococcus multilocularis lamin dm0 0.0053 1 1
Echinococcus granulosus lamin dm0 0.0053 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.2376 1
Schistosoma mansoni intermediate filament proteins 0.0053 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.4735 0.4735
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.2376 1
Echinococcus multilocularis lamin 0.0053 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0674 0.0674
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.2376 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.2376 0.1825
Echinococcus granulosus intermediate filament protein 0.0053 1 1
Brugia malayi hypothetical protein 0.0025 0.2376 0.2376
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0053 1 1
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0674 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0674 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0674 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.2325 0.177
Echinococcus multilocularis musashi 0.0053 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.893 0.8852
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0674 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.893 0.893

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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