TDR Targets

Basic information

Technical information

TDR Targets ID: 78819
Name: 5-chloro-1-[5-(hydroxymethyl)oxolan-2-yl]pyri midine-2,4-dione
MW: 246.648 | Formula: C9H11ClN2O4
H donors: 2 H acceptors: 3 LogP: -0.07 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OCC1CCC(O1)n1cc(Cl)c(=O)[nH]c1=O
InChi: 1S/C9H11ClN2O4/c10-6-3-12(9(15)11-8(6)14)7-2-1-5(4-13)16-7/h3,5,7,13H,1-2,4H2,(H,11,14,15)
InChiKey: VMZOLVOHWONZSQ-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-chloro-1-[5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
5-chloro-1-[5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
5-chloro-1-(5-methyloltetrahydrofuran-2-yl)pyrimidine-2,4-quinone

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
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.2314	0.1838
Toxoplasma gondii	eukaryotic initiation factor-4A, putative	0.0024	1	1
Schistosoma mansoni	multidrug resistance protein	0.001	0.2314	0.2314
Echinococcus multilocularis	multidrug resistance protein 1	0.001	0.2314	0.2314
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.2314	0.2314
Trichomonas vaginalis	abcb9, putative	0.001	0.2314	0.1838
Schistosoma mansoni	smdr2	0.001	0.2314	0.2314
Schistosoma mansoni	multidrug resistance protein	0.001	0.2314	0.2314
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.2314	0.1838
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.2314	0.1838
Loa Loa (eye worm)	hypothetical protein	0.0024	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.001	0.2314	0.2314
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.2314	0.2314
Onchocerca volvulus		0.001	0.2314	0.2314
Leishmania major	eukaryotic initiation factor 4a, putative	0.0024	1	1
Treponema pallidum	ATP-dependent RNA helicase	0.0024	1	0.5
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.001	0.2314	0.2314
Mycobacterium ulcerans	hypothetical protein	0.0006	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.2314	0.2314
Trichomonas vaginalis	ABC transporter, putative	0.001	0.2314	0.1838
Mycobacterium tuberculosis	Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog)	0.0024	1	1
Schistosoma mansoni	multidrug resistance protein	0.001	0.2314	0.2314
Trichomonas vaginalis	ABC transporter, putative	0.001	0.2314	0.1838
Echinococcus multilocularis	eukaryotic initiation factor 4A III	0.0024	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.001	0.2314	0.2314
Brugia malayi	ABC transporter family protein	0.001	0.2314	0.2314
Echinococcus multilocularis	eukaryotic initiation factor 4A	0.0024	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.2314	0.1838
Echinococcus multilocularis	multidrug resistance protein 1	0.001	0.2314	0.2314
Trichomonas vaginalis	abcb9, putative	0.001	0.2314	0.1838
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.2314	0.1838
Trichomonas vaginalis	ABC transporter, putative	0.001	0.2314	0.1838
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.2314	0.2314
Trichomonas vaginalis	abcb9, putative	0.001	0.2314	0.1838
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.2314	0.1838
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.2314	0.1838
Giardia lamblia	Translation initiation factor eIF-4A, putative	0.0024	1	0.5
Leishmania major	eukaryotic initiation factor 4a, putative	0.0024	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.2314	0.1838
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.2314	0.1838
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.2314	0.1838
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.001	0.2251	0.2251
Echinococcus multilocularis	ATP binding cassette sub family B	0.001	0.2251	0.2251
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.2314	0.1838
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.2314	0.2314
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0024	1	1
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0024	1	0.5
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.001	0.2314	0.1838
Trichomonas vaginalis	taga, putative	0.001	0.2314	0.1838
Plasmodium vivax	RNA helicase-1, putative	0.0024	1	1
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.001	0.2314	0.2314
Onchocerca volvulus	Eukaryotic initiation factor 4A homolog	0.0024	1	1
Trypanosoma brucei	Eukaryotic initiation factor 4A-1	0.0024	1	0.5
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.001	0.2314	0.2314
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.001	0.2314	0.2314
Echinococcus granulosus	multidrug resistance protein 1	0.001	0.2314	0.2314
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.2314	0.1838
Echinococcus granulosus	multidrug resistance protein 1	0.001	0.2314	0.2314
Echinococcus granulosus	multidrug resistance protein 1	0.0007	0.0583	0.0583
Trypanosoma cruzi	Eukaryotic initiation factor 4A-1	0.0024	1	0.5
Echinococcus granulosus	eukaryotic initiation factor 4A III	0.0024	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.0007	0.0583	0.0583
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.2314	0.2314
Echinococcus multilocularis	multidrug resistance protein 1	0.0007	0.0583	0.0583
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.2314	0.1838
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.2314	0.1838
Echinococcus granulosus	eukaryotic initiation factor 4A	0.0024	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.2314	0.1838
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.001	0.2314	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.2314	0.1838
Loa Loa (eye worm)	hypothetical protein	0.001	0.2251	0.2251
Loa Loa (eye worm)	multidrug resistance protein 3	0.001	0.2314	0.2314
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.2314	0.1838
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0024	1	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0024	1	1
Schistosoma mansoni	DEAD box ATP-dependent RNA helicase	0.0024	1	1
Trichomonas vaginalis	ABC transporter, putative	0.001	0.2314	0.1838
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.2314	0.1838
Entamoeba histolytica	DEAD/DEAH box helicase, putative	0.0024	1	1
Trichomonas vaginalis	DEAD box ATP-dependent RNA helicase, putative	0.0024	1	1
Brugia malayi	multidrug resistance protein 3	0.001	0.2314	0.2314
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.001	0.2314	0.1838
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.2314	0.1838
Loa Loa (eye worm)	hypothetical protein	0.001	0.2314	0.2314
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.2314	0.1838
Plasmodium falciparum	eukaryotic initiation factor 4A	0.0024	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
CD50 (functional)	> 500 uM	Cytotoxic dose of the compound required to reduce the viability of normal uninfected MT-4 cells by 50%	ChEMBL.	2342078
CD50 (functional)	> 500 uM	Cytotoxic dose of the compound required to reduce the viability of normal uninfected MT-4 cells by 50%	ChEMBL.	2342078
ED50 (functional)	= 81 uM	Effective dose achieving 50% protection of MT-4 cells against the cytopathic effect of HIV	ChEMBL.	2342078
Selectivity index (functional)	> 6	Selectivity index of CD50 to ED50 of MT-4 cells	ChEMBL.	2342078

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

ChEMBL: CHEMBL417371
PubChem: 14632479

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 78819