TDR Targets

Basic information

Technical information

TDR Targets ID: 217681
Name: 5-[[3-(3-fluoropropoxy)phenyl]methyl]-1-(2-hy droxyethoxymethyl)pyrimidine-2,4-dione
MW: 352.357 | Formula: C17H21FN2O5
H donors: 2 H acceptors: 3 LogP: 1.08 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: OCCOCn1cc(Cc2cccc(c2)OCCCF)c(=O)[nH]c1=O
InChi: 1S/C17H21FN2O5/c18-5-2-7-25-15-4-1-3-13(10-15)9-14-11-20(12-24-8-6-21)17(23)19-16(14)22/h1,3-4,10-11,21H,2,5-9,12H2,(H,19,22,23)
InChiKey: APGFFBHJDGIFJW-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-(3-fluoropropoxy)benzyl]-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-quinone

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 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
Schistosoma japonicum	ko:K00757 uridine phosphorylase [EC2.4.2.3], putative	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 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
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
Brugia malayi	Cathepsin L-like precursor	0.0049	0.026	0.026
Schistosoma mansoni	hypothetical protein	0.0064	0.0635	0.0635
Echinococcus multilocularis	cathepsin L cysteine protease	0.0049	0.026	0.0451
Brugia malayi	Cathepsin L-like precursor	0.0049	0.026	0.026
Trypanosoma brucei	prolyl oligopeptidase, putative	0.0105	0.1693	0.2605
Brugia malayi	cathepsin B-like cysteine proteinase	0.0146	0.2747	0.2747
Onchocerca volvulus		0.0049	0.026	0.026
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0054	0.0383	0.0224
Echinococcus granulosus	cathepsin b	0.0146	0.2747	0.4767
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0049	0.026	0.0451
Onchocerca volvulus		0.0049	0.026	0.026
Echinococcus multilocularis	cysteine protease	0.0049	0.026	0.0451
Brugia malayi	Cathepsin L-like precursor	0.0049	0.026	0.026
Toxoplasma gondii	prolyl endopeptidase	0.0264	0.5762	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.026	0.026
Echinococcus multilocularis	prolyl endopeptidase	0.0264	0.5762	1
Echinococcus multilocularis	cathepsin b	0.0146	0.2747	0.4767
Loa Loa (eye worm)	fibroinase	0.0049	0.026	0.026
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0146	0.2747	0.452
Toxoplasma gondii	cathepsin B	0.0054	0.0383	0.0224
Brugia malayi	Papain family cysteine protease containing protein	0.0049	0.026	0.026
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0054	0.0383	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0054	0.0383	0.0383
Plasmodium falciparum	cysteine repeat modular protein 1	0.0064	0.0635	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0049	0.026	0.026
Leishmania major	oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein	0.0105	0.1693	0.2605
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0264	0.5762	0.5762
Giardia lamblia	Cathepsin B precursor	0.0054	0.0383	0.5
Onchocerca volvulus		0.0391	0.9006	0.9006
Schistosoma mansoni	cathepsin F (C01 family)	0.0049	0.026	0.026
Leishmania major	oligopeptidase b	0.0105	0.1693	0.2605
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0064	0.0635	1
Brugia malayi	Cathepsin L-like precursor	0.0049	0.026	0.026
Giardia lamblia	Cathepsin B precursor	0.0054	0.0383	0.5
Loa Loa (eye worm)	uridine phosphorylase	0.0226	0.4794	0.4794
Echinococcus multilocularis	cathepsin b	0.0146	0.2747	0.4767
Trypanosoma brucei	oligopeptidase b	0.0105	0.1693	0.2605
Mycobacterium leprae	probable uridine phosphorylase	0.0226	0.4794	1
Onchocerca volvulus		0.0049	0.026	0.026
Echinococcus multilocularis	tissue type plasminogen activator	0.0064	0.0635	0.1102
Trypanosoma cruzi	oligopeptidase b	0.0105	0.1693	0.2605
Loa Loa (eye worm)	hypothetical protein	0.043	1	1
Brugia malayi	uridine phosphorylase family protein	0.0226	0.4794	0.4794
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0635	0.0635
Loa Loa (eye worm)	hypothetical protein	0.0264	0.5762	0.5762
Giardia lamblia	Cathepsin B precursor	0.0054	0.0383	0.5
Brugia malayi	Cathepsin L-like precursor	0.0049	0.026	0.026
Trypanosoma cruzi	oligopeptidase B-like protein, putative	0.0105	0.1693	0.2605
Schistosoma mansoni	uridine phosphorylase	0.0226	0.4794	0.4794
Loa Loa (eye worm)	cathepsin B	0.0054	0.0383	0.0383
Onchocerca volvulus	Cathepsin F homolog	0.0049	0.026	0.026
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.0236	0.5054	1
Echinococcus multilocularis	cysteine protease	0.0049	0.026	0.0451
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0049	0.026	0.0451
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0264	0.5762	0.5762
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0146	0.2747	0.2747
Trypanosoma cruzi	hypothetical protein, conserved	0.0064	0.0635	0.0682
Onchocerca volvulus		0.0049	0.026	0.026
Entamoeba histolytica	cysteine proteinase, putative	0.0049	0.026	0.5
Brugia malayi	Cathepsin L-like precursor	0.0049	0.026	0.026
Schistosoma mansoni	uridine phosphorylase	0.0226	0.4794	0.4794
Trypanosoma cruzi	serine peptidase, clan SC, family S9A-like protein, putative	0.0105	0.1693	0.2605
Onchocerca volvulus		0.0049	0.026	0.026
Toxoplasma gondii	kringle domain-containing protein	0.0064	0.0635	0.0682
Brugia malayi	Protein kinase domain containing protein	0.0064	0.0635	0.0635
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0146	0.2747	0.2747
Onchocerca volvulus	Cathepsin L homolog	0.0049	0.026	0.026
Loa Loa (eye worm)	cysteine protease	0.0049	0.026	0.026
Leishmania major	hypothetical protein, conserved	0.0064	0.0635	0.0682
Echinococcus granulosus	tissue type plasminogen activator	0.0064	0.0635	0.1102
Echinococcus granulosus	prolyl endopeptidase	0.0264	0.5762	1
Loa Loa (eye worm)	ctsf protein	0.0049	0.026	0.026
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0049	0.026	0.026
Echinococcus granulosus	uridine phosphorylase 1	0.0226	0.4794	0.832
Trypanosoma brucei	prolyl endopeptidase	0.0264	0.5762	1
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0264	0.5762	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0146	0.2747	0.2747
Loa Loa (eye worm)	TK/ROR protein kinase	0.0064	0.0635	0.0635
Echinococcus multilocularis	cathepsin L cysteine protease	0.0049	0.026	0.0451
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0264	0.5762	0.5762
Brugia malayi	prolyl oligopeptidase family protein	0.0264	0.5762	0.5762
Onchocerca volvulus		0.0049	0.026	0.026
Trypanosoma cruzi	prolyl endopeptidase	0.0264	0.5762	1
Onchocerca volvulus		0.0064	0.0635	0.0635
Loa Loa (eye worm)	hypothetical protein	0.043	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.043	1	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0054	0.0383	0.0224
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.043	1	1
Loa Loa (eye worm)	hypothetical protein	0.0146	0.2747	0.2747
Entamoeba histolytica	cysteine protease, putative	0.0049	0.026	0.5
Echinococcus multilocularis	uridine phosphorylase 1	0.0226	0.4794	0.832
Schistosoma mansoni	cathepsin F (C01 family)	0.0049	0.026	0.026
Trypanosoma brucei	serine peptidase, clan SC, family S9A-like protein	0.0105	0.1693	0.2605
Entamoeba histolytica	cysteine proteinase, putative	0.0049	0.026	0.5
Brugia malayi	Kringle domain containing protein	0.0064	0.0635	0.0635
Onchocerca volvulus		0.0049	0.026	0.026
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0146	0.2747	0.2747
Onchocerca volvulus	Cathepsin L homolog	0.0049	0.026	0.026
Echinococcus granulosus	cathepsin l1	0.0049	0.026	0.0451
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0054	0.0383	0.0224
Mycobacterium ulcerans	protease II (oligopeptidase B), PtrB	0.0105	0.1693	1
Onchocerca volvulus		0.043	1	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0049	0.026	0.0451
Trypanosoma cruzi	oligopeptidase b	0.0105	0.1693	0.2605
Echinococcus granulosus	cathepsin b	0.0146	0.2747	0.4767
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0049	0.026	0.0451

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.068 uM	Inhibition of uridine phosphorylase (UrdPase) from murine liver.	ChEMBL.	7562916
IC50 (binding)	= 0.068 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: 10043575

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 217681