TDR Targets

Basic information

Technical information

TDR Targets ID: 219739
Name: 5-[(3,5-difluorophenyl)methyl]-1H-pyrimidine- 2,4-dione
MW: 238.19 | Formula: C11H8F2N2O2
H donors: 2 H acceptors: 4 LogP: 2.28 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cc(cc(c1)F)Cc1cnc(nc1O)O
InChi: 1S/C11H8F2N2O2/c12-8-2-6(3-9(13)4-8)1-7-5-14-11(17)15-10(7)16/h2-5H,1H2,(H2,14,15,16,17)
InChiKey: BHDDNVOOBICCPP-UHFFFAOYSA-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

5-(3,5-difluorobenzyl)uracil

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	uridine phosphorylase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	uridine phosphorylase	Get druggable targets OG5_131462	All targets in OG5_131462
Echinococcus granulosus	uridine phosphorylase 1	Get druggable targets OG5_131462	All targets in OG5_131462
Mycobacterium leprae	probable uridine phosphorylase	Get druggable targets OG5_131462	All targets in OG5_131462
Schistosoma japonicum	ko:K00757 uridine phosphorylase [EC2.4.2.3], putative	Get druggable targets OG5_131462	All targets in OG5_131462
Schistosoma japonicum	ko:K00757 uridine phosphorylase [EC2.4.2.3], putative	Get druggable targets OG5_131462	All targets in OG5_131462
Loa Loa (eye worm)	uridine phosphorylase	Get druggable targets OG5_131462	All targets in OG5_131462
Brugia malayi	uridine phosphorylase family protein	Get druggable targets OG5_131462	All targets in OG5_131462
Schistosoma mansoni	uridine phosphorylase	Get druggable targets OG5_131462	All targets in OG5_131462
Echinococcus multilocularis	uridine phosphorylase 1	Get druggable targets OG5_131462	All targets in OG5_131462

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	uridine phosphorylase	uridine phosphorylase 1	311 aa	250 aa	22.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	uridine phosphorylase	0.0226	0.4572	0.4572
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0033	0.013	0.0025
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0605	0.0605
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.0032	0.0112	0.5
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0032	0.0112	0.8601
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0032	0.0112	0.5
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0033	0.013	1
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0032	0.0112	0.8601
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0032	0.0112	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0112	0.5
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0033	0.013	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0605	0.0605
Brugia malayi	MTAP	0.0032	0.0112	0.0112
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0032	0.0112	0.5
Loa Loa (eye worm)	S-methyl-5'-thioadenosine phosphorylase MTAP	0.0032	0.0112	0.0112
Echinococcus granulosus	uridine phosphorylase 1	0.0226	0.4572	0.6106
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0033	0.013	0.0025
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0032	0.0112	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0605	0.0605
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0032	0.0112	0.5
Leishmania major	nucleoside phosphorylase-like protein	0.0032	0.0112	0.8601
Echinococcus multilocularis	geminin	0.035	0.7416	1
Brugia malayi	isocitrate dehydrogenase	0.0033	0.013	0.013
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0033	0.013	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0032	0.0112	0.5
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0032	0.0112	0.5
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0033	0.013	1
Treponema pallidum	pfs protein (pfs)	0.0032	0.0112	0.5
Leishmania major	methylthioadenosine phosphorylase, putative	0.0032	0.0112	0.8601
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0032	0.0112	0.5
Chlamydia trachomatis	AMP nucleosidase	0.0032	0.0112	0.5
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0033	0.013	0.013
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0033	0.013	1
Echinococcus granulosus	geminin	0.035	0.7416	1
Schistosoma mansoni	hypothetical protein	0.035	0.7416	1
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.0032	0.0112	0.5
Loa Loa (eye worm)	hypothetical protein	0.0463	1	1
Plasmodium falciparum	purine nucleoside phosphorylase	0.0032	0.0112	0.8601
Schistosoma mansoni	uridine phosphorylase	0.0226	0.4572	0.6106
Brugia malayi	purine nucleoside phosphorylase I, inosine and guanosine-specific family protein	0.0032	0.0112	0.0112
Brugia malayi	uridine phosphorylase family protein	0.0226	0.4572	0.4572
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.2313	0.2313
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0032	0.0112	0.8601
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0033	0.013	0.0025
Brugia malayi	MH2 domain containing protein	0.0128	0.2313	0.2313
Entamoeba histolytica	MTA/SAH nucleosidase, putative	0.0032	0.0112	0.5
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0032	0.0112	0.5
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0033	0.013	0.0025
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0033	0.013	0.0025
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	0.2313	0.2313
Schistosoma mansoni	uridine phosphorylase	0.0226	0.4572	0.6106
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0032	0.0112	0.8601
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0032	0.0112	0.5
Mycobacterium ulcerans	bifunctional Mta/Sah nucleosidase Mtn	0.0032	0.0112	0.5
Brugia malayi	Isocitrate dehydrogenase	0.0033	0.013	0.013
Giardia lamblia	UPL-1	0.0032	0.0112	0.5
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0033	0.013	0.0025
Toxoplasma gondii	phosphorylase family protein	0.0032	0.0112	0.8601
Toxoplasma gondii	isocitrate dehydrogenase	0.0033	0.013	1
Toxoplasma gondii	phosphorylase family protein	0.0032	0.0112	0.8601
Trypanosoma brucei	uridine phosphorylase	0.0032	0.0112	0.8601
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0032	0.0112	0.5
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0605	0.0605
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0032	0.0112	0.8601
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0032	0.0112	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0218	0.0218
Mycobacterium leprae	probable uridine phosphorylase	0.0226	0.4572	1
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0032	0.0112	0.8601
Onchocerca volvulus		0.0463	1	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0033	0.013	1
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.0032	0.0112	0.8601
Schistosoma mansoni	hypothetical protein	0.0036	0.0218	0.0145
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0032	0.0112	0.5
Toxoplasma gondii	isocitrate dehydrogenase	0.0033	0.013	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0218	0.0218
Echinococcus multilocularis	isocitrate dehydrogenase	0.0033	0.013	0.0025
Treponema pallidum	uridine phosphorylase (udp)	0.0032	0.0112	0.5
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0032	0.0112	0.5
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0032	0.0112	0.5
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0033	0.013	1
Schistosoma mansoni	hypothetical protein	0.035	0.7416	1
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.0032	0.0112	0.5
Echinococcus multilocularis	uridine phosphorylase 1	0.0226	0.4572	0.6106
Entamoeba histolytica	hypothetical protein	0.0032	0.0112	0.5
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0033	0.013	1
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	0.0032	0.0112	0.8601
Mycobacterium ulcerans	5'-methylthioadenosine phosphorylase	0.0032	0.0112	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0112	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 7.6 uM	Inhibition of uridine phosphorylase (UrdPase) from murine liver.	ChEMBL.	7562916
IC50 (binding)	= 7.6 uM	Inhibition of uridine phosphorylase (UrdPase) from murine liver.	ChEMBL.	7562916

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

PubChem: 10037196

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 219739