TDR Targets

Basic information

Technical information

TDR Targets ID: 1627630
Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl ]-5-ethoxypyrimidine-2,4-dione
MW: 288.254 | Formula: C11H16N2O7
H donors: 4 H acceptors: 5 LogP: -1.76 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1cn(c(=O)[nH]c1=O)C1OC(C(C1O)O)CO
InChi: 1S/C11H16N2O7/c1-2-19-5-3-13(11(18)12-9(5)17)10-8(16)7(15)6(4-14)20-10/h3,6-8,10,14-16H,2,4H2,1H3,(H,12,17,18)
InChiKey: ZQTYBMPVJXKDAO-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

1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-ethoxy-pyrimidine-2,4-dione
1-[3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-ethoxypyrimidine-2,4-dione
1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-5-ethoxy-pyrimidine-2,4-quinone
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethoxy-pyrimidine-2,4-dione
NCI60_014842

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	conserved hypothetical protein	0.0086	0.021	0.1201
Schistosoma mansoni	hypothetical protein	0.016	0.0426	0.0426
Loa Loa (eye worm)	hypothetical protein	0.1369	0.3974	0.3974
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0055	0.0118	0.8847
Echinococcus multilocularis	isocitrate dehydrogenase	0.0015	0.0000071465	0.0000071465
Trypanosoma cruzi	major cysteine proteinase, putative	0.0047	0.0095	0.7155
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.006	0.0133	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0026	0.0026
Trypanosoma cruzi	cysteine peptidase, putative	0.006	0.0133	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0016	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0051	0.0051
Echinococcus multilocularis	geminin	0.016	0.0426	0.0426
Schistosoma mansoni	potassium-dependent sodium-calcium exchanger 3 4	0.0086	0.021	0.021
Schistosoma mansoni	hypothetical protein	0.0032	0.0051	0.0051
Loa Loa (eye worm)	fibroinase	0.0016	0.0003	0.0003
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0.0000071465	0.0000071465
Brugia malayi	Papain family cysteine protease containing protein	0.0016	0.0003	0.0007
Leishmania major	cathepsin L-like protease	0.0016	0.0003	0.0197
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.006	0.0133	1
Mycobacterium tuberculosis	Probable ionic transporter integral membrane protein ChaA	0.0086	0.021	1
Leishmania major	hypothetical protein, conserved	0.0024	0.0026	0.196
Loa Loa (eye worm)	hypothetical protein	0.0086	0.021	0.021
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0094	0.0094
Toxoplasma gondii	cathepsin CPL	0.0016	0.0003	0.0125
Loa Loa (eye worm)	hypothetical protein	0.0086	0.021	0.021
Brugia malayi	hypothetical protein	0.0015	0.0001	0.0003
Leishmania major	cathepsin L-like protease	0.006	0.0133	1
Echinococcus granulosus	geminin	0.016	0.0426	0.0426
Echinococcus granulosus	sodium:potassium:calcium exchanger	0.0086	0.021	0.021
Trypanosoma cruzi	cysteine peptidase, putative	0.006	0.0133	1
Schistosoma mansoni	microtubule-associated protein tau	0.0651	0.1868	0.1868
Leishmania major	cathepsin L-like protease	0.0016	0.0003	0.0197
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0003	0.0007
Brugia malayi	latrophilin 2 splice variant baaae	0.0032	0.0051	0.0128
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0016	0.0003	0.0125
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0003	0.0003
Brugia malayi	K+-dependent Na+/Ca+ exchanger related-protein	0.0086	0.021	0.0528
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0047	0.0094	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0296	0.0296
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0026	0.1242
Onchocerca volvulus	Huntingtin homolog	0.0116	0.0296	1
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0603	0.1728	1
Schistosoma mansoni	sodium/calcium exchanger	0.3421	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.006	0.0133	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0003	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0086	0.021	0.021
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0016	0.0003	0.0125
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0003	0.0007
Treponema pallidum	hypothetical protein	0.0086	0.021	0.5
Schistosoma mansoni	potassium-dependent sodium-calcium exchanger 3 4	0.0086	0.021	0.021
Brugia malayi	hypothetical protein	0.0116	0.0296	0.0744
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.006	0.0133	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.0026	0.196
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.006	0.0133	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0026	0.196
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0000071465	0.0000071465
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0016	0.0003	0.0003
Plasmodium vivax	cation/H+ antiporter, putative	0.0086	0.021	1
Brugia malayi	Na/Ca eXchangers family member (ncx-4)	0.0086	0.021	0.0528
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0003	0.0003
Echinococcus multilocularis	sodium:potassium:calcium exchanger 6	0.0086	0.021	0.021
Echinococcus multilocularis	sodium calcium exchanger	0.3421	1	1
Mycobacterium leprae	Probable ionic transporter integral membrane protein ChaA	0.0086	0.021	0.5
Toxoplasma gondii	manganese resistance 1 protein, putative	0.0086	0.021	1
Plasmodium vivax	vivapain-2	0.0016	0.0003	0.0125
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0026	0.196
Echinococcus multilocularis	cysteine protease	0.0016	0.0003	0.0003
Leishmania major	cathepsin L-like protease	0.006	0.0133	1
Onchocerca volvulus	Sodium\/potassium\/calcium exchanger	0.0086	0.021	0.707
Loa Loa (eye worm)	MH2 domain-containing protein	0.0113	0.0287	0.0287
Plasmodium vivax	ataxin-2 like protein, putative	0.0024	0.0026	0.1242
Loa Loa (eye worm)	hypothetical protein	0.0116	0.0296	0.0296
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0026	0.1242
Entamoeba histolytica	sodium/calcium exchanger protein, putative	0.0086	0.021	1
Brugia malayi	hypothetical protein	0.0024	0.0026	0.0066
Leishmania major	cysteine peptidase A (CPA)	0.0016	0.0003	0.0197
Echinococcus granulosus	sodium:potassium:calcium exchanger 6	0.0086	0.021	0.021
Schistosoma mansoni	hypothetical protein	0.0086	0.021	0.021
Leishmania major	cathepsin L-like protease	0.0016	0.0003	0.0197
Loa Loa (eye worm)	Na/Ca eXchangers family member	0.0086	0.021	0.021
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0016	0.0003	0.0003
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.006	0.0133	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0003	0.0003
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.006	0.0133	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0000071465	0.0000071465
Trypanosoma cruzi	cysteine peptidase, putative	0.0016	0.0003	0.0197
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.006	0.0133	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0016	0.0003	0.0003
Loa Loa (eye worm)	cysteine protease	0.0016	0.0003	0.0003
Leishmania major	cathepsin L-like protease	0.0016	0.0003	0.0197
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.006	0.0133	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0016	0.0003	0.0003
Loa Loa (eye worm)	transcription factor SMAD2	0.0113	0.0287	0.0287
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.006	0.0133	1
Loa Loa (eye worm)	solute carrier family 8	0.3421	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.021	0.1201
Brugia malayi	Sodium/calcium exchanger protein	0.1369	0.3974	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0016	0.0003	0.0125
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0003	0.0007
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0765	0.2202	0.2202
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.006	0.0133	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.0026	0.1242
Loa Loa (eye worm)	ctsf protein	0.0016	0.0003	0.0003
Echinococcus granulosus	microtubule associated protein 2	0.0651	0.1868	0.1868
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0015	0.0000071465	0.0000071465
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.0000071465	0.0000071465
Echinococcus multilocularis	cathepsin L cysteine protease	0.0016	0.0003	0.0003
Leishmania major	cathepsin L-like protease	0.0016	0.0003	0.0197
Plasmodium vivax	vivapain-2	0.0016	0.0003	0.0125
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0047	0.0094	0.0238
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0003	0.0007
Echinococcus multilocularis	cysteine protease	0.0016	0.0003	0.0003
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0015	0.0000071465	0.0000071465
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0047	0.0094	0.0094
Schistosoma mansoni	na/ca exchanger	0.0086	0.021	0.021
Onchocerca volvulus	Huntingtin homolog	0.0116	0.0296	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0000071465	0.0000071465
Echinococcus multilocularis	sodium:potassium:calcium exchanger	0.0086	0.021	0.021
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0003	0.0007
Brugia malayi	MH2 domain containing protein	0.0113	0.0287	0.0722
Echinococcus multilocularis	microtubule associated protein 2	0.0651	0.1868	0.1868
Brugia malayi	Cathepsin L-like precursor	0.0016	0.0003	0.0007
Trypanosoma cruzi	cysteine peptidase, putative	0.006	0.0133	1
Plasmodium falciparum	cation/H+ antiporter	0.0086	0.021	1
Echinococcus granulosus	cathepsin l1	0.0016	0.0003	0.0003
Schistosoma mansoni	hypothetical protein	0.016	0.0426	0.0426
Leishmania major	cathepsin L-like protease	0.006	0.0133	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.006	0.0133	1
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.021	0.1201
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0016	0.0003	0.0003
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0603	0.1728	1

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1991557

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1627630