TDR Targets

Basic information

Technical information

TDR Targets ID: 839477
Name: 4-[(E)-2-[5-(3-chloro-4-methoxyphenyl)furan-2 -yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin -2-one
MW: 396.748 | Formula: C18H12ClF3N2O3
H donors: 1 H acceptors: 3 LogP: 4.77 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1Cl)c1ccc(o1)C=Cc1nc(O)nc(c1)C(F)(F)F
InChi: 1S/C18H12ClF3N2O3/c1-26-15-6-2-10(8-13(15)19)14-7-5-12(27-14)4-3-11-9-16(18(20,21)22)24-17(25)23-11/h2-9H,1H3,(H,23,24,25)/b4-3+
InChiKey: DWTOLWMPSMUXRS-ONEGZZNKSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

4-[2-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
4-[(E)-2-[5-(3-chloro-4-methoxy-phenyl)-2-furyl]vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
4-[2-[5-(3-chloro-4-methoxy-phenyl)-2-furyl]vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
4-[(E)-2-[5-(3-chloro-4-methoxyphenyl)-2-furyl]vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
4-[2-[5-(3-chloro-4-methoxyphenyl)-2-furyl]vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
4-[(E)-2-[5-(3-chloro-4-methoxy-phenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
4-[2-[5-(3-chloro-4-methoxy-phenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
EU-0081224
CBMicro_020052
BIM-0019948.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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0067	0.0698	0.1056
Echinococcus granulosus	dnaJ subfamily B	0.0449	0.5214	0.7894
Schistosoma mansoni	lamin	0.003	0.0257	0.039
Loa Loa (eye worm)	hypothetical protein	0.0014	0.007	0.0047
Onchocerca volvulus		0.0032	0.028	0.0023
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0854	1	1
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0567	0.6605	0.5
Echinococcus granulosus	lamin	0.003	0.0257	0.039
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0014	0.0076	0.0116
Trypanosoma cruzi	Enriched in surface-labeled proteome protein 12	0.0674	0.787	1
Brugia malayi	Intermediate filament tail domain containing protein	0.003	0.0257	0.0237
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0567	0.6605	1
Echinococcus granulosus	cpg binding protein	0.0033	0.0301	0.0456
Brugia malayi	intermediate filament protein	0.003	0.0257	0.0237
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0854	1	1
Echinococcus granulosus	lamin dm0	0.003	0.0257	0.039
Loa Loa (eye worm)	hypothetical protein	0.0014	0.007	0.0047
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0854	1	1
Schistosoma mansoni	intermediate filament proteins	0.003	0.0257	0.039
Trypanosoma brucei	hypothetical protein, conserved	0.0674	0.787	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0023	0.0034
Echinococcus multilocularis	cpg binding protein	0.0033	0.0301	0.0456
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0854	1	0.5
Echinococcus multilocularis	dnaJ subfamily B	0.0449	0.5214	0.7894
Trypanosoma cruzi	Enriched in surface-labeled proteome protein 12	0.0674	0.787	1
Trypanosoma cruzi	Enriched in surface-labeled proteome protein 12	0.0674	0.787	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0251	0.0229
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0567	0.6605	1
Echinococcus multilocularis	lamin	0.003	0.0257	0.039
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0854	1	1
Brugia malayi	CXXC zinc finger family protein	0.0032	0.028	0.0259
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.003	0.0257	0.0235
Trypanosoma brucei	hypothetical protein, conserved	0.0674	0.787	1
Echinococcus multilocularis	musashi	0.003	0.0257	0.039
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0014	0.0076	0.0116
Loa Loa (eye worm)	intermediate filament protein	0.003	0.0257	0.0235
Onchocerca volvulus		0.0854	1	1
Trypanosoma cruzi	Enriched in surface-labeled proteome protein 12	0.0674	0.787	1
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0567	0.6605	0.6597
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0854	1	1
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0567	0.6605	0.6597
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0076	0.0054
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0023	0.0034
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0854	1	1
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.0567	0.6605	0.6597
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0016	0.0095	0.0072
Schistosoma mansoni	cpg binding protein	0.0032	0.028	0.0424
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0854	1	1
Schistosoma mansoni	lamin	0.003	0.0257	0.039
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0567	0.6605	0.5
Trypanosoma cruzi	Enriched in surface-labeled proteome protein 12	0.0674	0.787	1
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0567	0.6605	1
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0854	1	1
Schistosoma mansoni	cpg binding protein	0.0033	0.0301	0.0456
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0567	0.6605	1
Echinococcus granulosus	intermediate filament protein	0.003	0.0257	0.039
Loa Loa (eye worm)	hypothetical protein	0.003	0.0257	0.0235
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.028	0.0258
Trypanosoma brucei	Enriched in surface-labeled proteome protein 12	0.0674	0.787	1
Schistosoma mansoni	hypothetical protein	0.0449	0.5214	0.7894
Echinococcus multilocularis	lamin dm0	0.003	0.0257	0.039
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0567	0.6605	0.5
Schistosoma mansoni	cpg binding protein	0.0033	0.0301	0.0456
Brugia malayi	cytoplasmic intermediate filament protein	0.0016	0.0095	0.0074
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0854	1	1
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0854	1	0.5
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0854	1	1
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0567	0.6605	0.6597

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 839477