TDR Targets

Basic information

Technical information

TDR Targets ID: 1846988
Name: [(2R,3S,5R)-3-hydroxy-5-(2-oxo-4-sulfanyliden epyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
MW: 324.247 | Formula: C9H13N2O7PS
H donors: 4 H acceptors: 5 LogP: -2.38 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1ccc(=S)[nH]c1=O
InChi: 1S/C9H13N2O7PS/c12-5-3-8(11-2-1-7(20)10-9(11)13)18-6(5)4-17-19(14,15)16/h1-2,5-6,8,12H,3-4H2,(H,10,13,20)(H2,14,15,16)/t5-,6+,8+/m0/s1
InChiKey: TZCXMOYDOSCPGG-SHYZEUOFSA-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

[(2R,3S,5R)-3-hydroxy-5-(2-oxo-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
[(2R,3S,5R)-3-hydroxy-5-(2-oxo-4-thioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
[(2R,3S,5R)-3-hydroxy-5-(2-keto-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
[(2R,3S,5R)-3-hydroxy-5-(2-oxo-4-sulfanylidene-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate

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	hypothetical protein, conserved	0.0139	0	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0139	0	0.5
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0139	0	0.5
Echinococcus granulosus	raf serine:threonine protein kinase	0.0508	0.2503	0.2503
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0139	0	0.5
Treponema pallidum	alginate O-acetylation protein (algI)	0.0139	0	0.5
Leishmania major	glycerol uptake protein, putative	0.0139	0	0.5
Loa Loa (eye worm)	TKL/RAF/RAF protein kinase	0.0288	0.1011	0.1011
Trypanosoma cruzi	GUP1, putative	0.0139	0	0.5
Trichomonas vaginalis	porcupine, putative	0.0139	0	0.5
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0139	0	0.5
Leishmania major	glycerol uptake protein, putative	0.0139	0	0.5
Loa Loa (eye worm)	raf kinase	0.0505	0.2487	0.2487
Leishmania major	glycerol uptake protein, putative	0.0139	0	0.5
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0139	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0139	0	0.5
Echinococcus multilocularis	zinc finger protein	0.1473	0.9057	0.9057
Trypanosoma cruzi	glycerol uptake protein, putative	0.0139	0	0.5
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0139	0	0.5
Brugia malayi	Raf kinase	0.049	0.2383	0.2383
Trichomonas vaginalis	conserved hypothetical protein	0.0139	0	0.5
Trypanosoma cruzi	glycerol uptake protein, putative	0.0139	0	0.5
Leishmania major	glycerol uptake protein, putative	0.0139	0	0.5
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.1612	1	1
Trypanosoma cruzi	glycerol uptake protein, putative	0.0139	0	0.5
Schistosoma mansoni	zinc finger protein	0.1612	1	1
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0139	0	0.5
Trypanosoma cruzi	GUP1, putative	0.0139	0	0.5
Entamoeba histolytica	vacuolar protein sorting 26	0.0139	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0139	0	0.5
Toxoplasma gondii	hypothetical protein	0.0139	0	0.5
Trypanosoma brucei	glycerol uptake protein, putative	0.0139	0	0.5
Trypanosoma brucei	glycerol uptake protein, putative	0.0139	0	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0508	0.2503	0.2503
Loa Loa (eye worm)	MBOAT family protein	0.1612	1	1
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.1612	1	1
Echinococcus granulosus	zinc finger protein	0.1473	0.9057	0.9057
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0139	0	0.5
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0508	0.2503	0.2503
Onchocerca volvulus		0.0139	0	0.5
Entamoeba histolytica	hypothetical protein	0.0139	0	0.5
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0139	0	0.5
Leishmania major	glycerol uptake protein, putative	0.0139	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Km (binding)	= 70 uM	Michaelis Menten constant for dTMPsynthetase	ChEMBL.	6987403

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: CHEMBL3142250

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1846988