TDR Targets

Basic information

Technical information

TDR Targets ID: 1617548
Name: 1-hydroxy-1-[2-(hydroxymethyl)-5-(5-methyl-2, 4-dioxopyrimidin-1-yl)oxolan-3-yl]urea
MW: 300.268 | Formula: C11H16N4O6
H donors: 4 H acceptors: 5 LogP: -2.39 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OCC1OC(CC1N(C(=O)N)O)n1cc(C)c(=O)[nH]c1=O
InChi: 1S/C11H16N4O6/c1-5-3-14(11(19)13-9(5)17)8-2-6(7(4-16)21-8)15(20)10(12)18/h3,6-8,16,20H,2,4H2,1H3,(H2,12,18)(H,13,17,19)
InChiKey: GQUKYSQQRZCVEM-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-hydroxy-1-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]urea
1-hydroxy-1-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-tetrahydrofuranyl]urea
1-[5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]-1-hydroxy-urea
1-hydroxy-1-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl]urea
NSC688958
NCI60_033340
NSC693091

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
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1383	0.7721	0.6934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1128	0.6077	0.6007
Toxoplasma gondii	target of rapamycin (TOR), putative	0.1292	0.7135	1
Echinococcus granulosus	serine protein kinase ATM	0.0333	0.0934	0.0638
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0306	0.0759	0.0759
Loa Loa (eye worm)	hypothetical protein	0.0352	0.106	0.0901
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0306	0.0759	0.0594
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1381	0.7712	0.7671
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0586	0.2569	0.2436
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0333	0.0934	0.0638
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0333	0.0934	0.0772
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1292	0.7135	0.7084
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0477	0.1864	0.1598
Trichomonas vaginalis	PIKK family atypical protein kinase	0.094	0.4856	0.4765
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0245	0.0365	0.0194
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0586	0.2569	0.2436
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0824	0.4107	0.35
Entamoeba histolytica	hypothetical protein	0.0333	0.0934	0.0934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0586	0.2569	0.2436
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0586	0.2569	0.2436
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0938	0.4847	0.4755
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1166	0.6319	0.6253
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0333	0.0934	0.0638
Entamoeba histolytica	hypothetical protein	0.0266	0.0502	0.0502
Loa Loa (eye worm)	phosphatidylinositol 3	0.0586	0.2569	0.2436
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0724	0.3463	0.279
Loa Loa (eye worm)	hypothetical protein	0.0253	0.0417	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0237	0.0316	0.0144
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0586	0.2569	0.2245
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1039	0.55	0.542
Trichomonas vaginalis	PIKK family atypical protein kinase	0.094	0.4856	0.4765
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0306	0.0759	0.0594
Entamoeba histolytica	protein kinase rad3, putative	0.0333	0.0934	0.0934
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0586	0.2569	0.2326
Trichomonas vaginalis	PIKK family atypical protein kinase	0.094	0.4856	0.4765
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1381	0.7712	0.7671
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0477	0.1864	0.151
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1029	0.5434	0.5352
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1292	0.7135	0.7084
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1292	0.7135	0.7084
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1381	0.7712	0.7671
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1381	0.7712	0.7671
Loa Loa (eye worm)	hypothetical protein	0.0333	0.0934	0.0772
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0198	0.006	0.006
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0333	0.0934	0.0772
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1292	0.7135	0.7084
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0333	0.0934	0.0638
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0586	0.2569	0.2436
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0586	0.2569	0.2436
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1381	0.7712	0.7671
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1029	0.5434	0.5352
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0586	0.2569	0.1803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1039	0.55	0.542
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0333	0.0934	0.0539
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0586	0.2569	0.2326
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0306	0.0759	0.0594
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0586	0.2569	0.2436
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0333	0.0934	0.0638
Trichomonas vaginalis	conserved hypothetical protein	0.0253	0.0417	0.0246
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0253	0.0417	0.0104
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0245	0.0365	0.0194
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0938	0.4847	0.4755
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0586	0.2569	0.1803
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1292	0.7135	0.7084
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0938	0.4847	0.4755
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0253	0.0417	0.0104
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0306	0.0759	0.0594
Brugia malayi	FAT domain containing protein	0.0253	0.0417	0.0104
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1039	0.55	0.542
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.037	0.1175	0.039
Loa Loa (eye worm)	phosphatidylinositol 3	0.0437	0.1608	0.1458
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0333	0.0934	0.0772
Trypanosoma cruzi	target of rapamycin kinase 3	0.1383	0.7721	0.7681
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0306	0.0759	0.0457
Trichomonas vaginalis	PIKK family atypical protein kinase	0.094	0.4856	0.4765
Trichomonas vaginalis	conserved hypothetical protein	0.037	0.1175	0.1018
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1292	0.7135	0.7084
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0333	0.0934	0.0539
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0266	0.0502	0.0502
Trichomonas vaginalis	PIKK family atypical protein kinase	0.047	0.1819	0.1673
Loa Loa (eye worm)	hypothetical protein	0.037	0.1175	0.1018
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0333	0.0934	0.0934
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0586	0.2569	0.2326
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0306	0.0759	0.0594
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1383	0.7721	0.7487
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1292	0.7135	0.7084
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0477	0.1864	0.1598
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0333	0.0934	0.0772
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0333	0.0934	0.0772
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1482	0.8365	0.8336
Echinococcus multilocularis	serine protein kinase ATM	0.0333	0.0934	0.0638

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 MDA-N Breast 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 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 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 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 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 SF-539 Central Nervous System 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 DU-145 Prostate 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: CHEMBL1969586

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1617548