TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 303.208 | Formula: C10H14N3O6P
H donors: 3 H acceptors: 6 LogP: -2.25 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=c1[nH]c(=O)n(cc1C)C1CCN(C1)C(=O)P(=O)(O)O
InChi: 1S/C10H14N3O6P/c1-6-4-13(9(15)11-8(6)14)7-2-3-12(5-7)10(16)20(17,18)19/h4,7H,2-3,5H2,1H3,(H,11,14,15)(H2,17,18,19)
InChiKey: DOXKBGLOKWJXDU-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Thymidine phosphorylase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase)	Get druggable targets OG5_131632	All targets in OG5_131632
Mycobacterium ulcerans	thymidine phosphorylase	Get druggable targets OG5_131632	All targets in OG5_131632
Echinococcus granulosus	thymidine phosphorylase	Get druggable targets OG5_131632	All targets in OG5_131632
Echinococcus multilocularis	thymidine phosphorylase	Get druggable targets OG5_131632	All targets in OG5_131632

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
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.0219	0.1397
Onchocerca volvulus		0.0067	0.0219	0.5
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0067	0.0219	0.0219
Echinococcus multilocularis	c src tyrosine kinase	0.0067	0.0219	0.0219
Brugia malayi	Protein kinase domain containing protein	0.0067	0.0219	0.1397
Schistosoma mansoni	tyrosine kinase	0.0067	0.0219	0.0645
Onchocerca volvulus		0.0067	0.0219	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0163	0.1565	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.0219	0.1397
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0055	0.0045	0.0045
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0162	0.1543	0.3643
Brugia malayi	Tyrosine-protein kinase abl-1	0.0067	0.0219	0.1397
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.019	0.1942	0.1942
Onchocerca volvulus		0.0067	0.0219	0.5
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0067	0.0219	0.0219
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0067	0.0219	0.0219
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0067	0.0219	0.0219
Brugia malayi	protein-tyrosine kinase	0.0067	0.0219	0.1397
Mycobacterium leprae	Probable anthranilate phosphoribosyltransferase TrpD	0.0216	0.2302	0.5
Onchocerca volvulus		0.0067	0.0219	0.5
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0067	0.0219	0.0219
Leishmania major	mitochondrial DNA polymerase beta	0.0342	0.4067	1
Schistosoma mansoni	hypothetical protein	0.0172	0.1679	0.4953
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0342	0.4067	1
Echinococcus granulosus	histone acetyltransferase MYST2	0.0055	0.0045	0.0045
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0163	0.1565	1
Schistosoma mansoni	tyrosine kinase	0.0067	0.0219	0.0645
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0055	0.0045	0.0045
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.0219	0.1397
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0067	0.0219	0.0219
Onchocerca volvulus		0.0067	0.0219	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0067	0.0219	0.0219
Loa Loa (eye worm)	TK protein kinase	0.0067	0.0219	0.1397
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0219	0.1397
Brugia malayi	hypothetical protein	0.0067	0.0219	0.1397
Brugia malayi	Protein kinase domain containing protein	0.0067	0.0219	0.1397
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0067	0.0219	0.0219
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0067	0.0219	0.0219
Echinococcus granulosus	c src tyrosine kinase	0.0067	0.0219	0.0219
Echinococcus granulosus	tyrosine protein kinase Srms	0.0067	0.0219	0.0219
Mycobacterium tuberculosis	Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase)	0.0765	1	1
Schistosoma mansoni	tyrosine kinase	0.0067	0.0219	0.0645
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0055	0.0045	0.0132
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0067	0.0219	0.0219
Brugia malayi	Protein kinase domain containing protein	0.0067	0.0219	0.1397
Mycobacterium ulcerans	thymidine phosphorylase	0.0765	1	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.084	0.5368
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0342	0.4067	1
Schistosoma mansoni	tyrosine kinase	0.0067	0.0219	0.0645
Schistosoma mansoni	hypothetical protein	0.0294	0.3389	1
Loa Loa (eye worm)	MBCTL1	0.0055	0.0045	0.0286
Schistosoma mansoni	hypothetical protein	0.0172	0.1679	0.4953
Echinococcus granulosus	tyrosine kinase	0.0067	0.0219	0.0219
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0067	0.0219	0.0219
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0067	0.0219	0.0645
Schistosoma mansoni	tyrosine kinase	0.0067	0.0219	0.0645
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0067	0.0219	0.0219
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.0219	0.1397
Echinococcus granulosus	geminin	0.0172	0.1679	0.1679
Brugia malayi	SH2 domain containing protein	0.0067	0.0219	0.1397
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0067	0.0219	0.0219
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0067	0.0219	0.0219
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0342	0.4067	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0067	0.0219	0.0219
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0067	0.0219	0.0219
Echinococcus multilocularis	tyrosine kinase	0.0067	0.0219	0.0219
Brugia malayi	Protein kinase domain containing protein	0.0067	0.0219	0.1397
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.0219	0.1397
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0163	0.1565	1
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0067	0.0219	0.0219
Brugia malayi	Protein kinase domain containing protein	0.0067	0.0219	0.1397
Echinococcus multilocularis	thymidine phosphorylase	0.0765	1	1
Brugia malayi	SH2 domain containing protein	0.0067	0.0219	0.1397
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0067	0.0219	0.0219
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0067	0.0219	0.0219
Echinococcus granulosus	tyrosine protein kinase Blk	0.0067	0.0219	0.0219
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.0219	0.1397
Schistosoma mansoni	hypothetical protein	0.0112	0.084	0.2479
Onchocerca volvulus		0.0067	0.0219	0.5
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0067	0.0219	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.0219	0.1397
Loa Loa (eye worm)	TK/ABL protein kinase	0.0067	0.0219	0.1397
Echinococcus multilocularis	geminin	0.0172	0.1679	0.1679
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0067	0.0219	0.0219
Echinococcus granulosus	tyrosine protein kinase shark	0.0067	0.0219	0.0219
Schistosoma mansoni	tyrosine kinase	0.0067	0.0219	0.0645
Loa Loa (eye worm)	SRC-1	0.0067	0.0219	0.1397
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0055	0.0045	0.0045
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0067	0.0219	0.0219
Brugia malayi	latrophilin 2 splice variant baaae	0.0112	0.084	0.5368
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0067	0.0219	0.0219
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.0219	0.1397
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0055	0.0045	0.0286
Brugia malayi	SRC-1	0.0067	0.0219	0.1397
Toxoplasma gondii	hypothetical protein	0.0055	0.0047	0.5
Mycobacterium ulcerans	anthranilate phosphoribosyltransferase	0.0216	0.2302	0.0613
Echinococcus multilocularis	tyrosine protein kinase shark	0.0067	0.0219	0.0219
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.019	0.1942	0.1942
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0067	0.0219	0.0219
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0067	0.0219	0.0219
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0067	0.0219	0.0219
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0067	0.0219	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0045	0.0286
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0067	0.0219	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1565	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.0219	0.1397
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0067	0.0219	0.0219
Mycobacterium tuberculosis	Probable anthranilate phosphoribosyltransferase TrpD	0.0216	0.2302	0.0613
Loa Loa (eye worm)	TK/FER protein kinase	0.0067	0.0219	0.1397
Echinococcus granulosus	tyrosine kinase	0.0067	0.0219	0.0219

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 3 %	Inhibition of thymidine phosphorylase in T cell lymphomas of Sprague-Dawley rat assessed as residual activity at 10 uM in presence of 100 uM thymidine and 200 uM phosphate	ChEMBL.	20053558
IC50 (binding)	= 350 nM	Inhibition of thymidine phosphorylase in T cell lymphomas of Sprague-Dawley rat in presence of 100 uM thymidine and 200 uM phosphate	ChEMBL.	20053558

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: CHEMBL598327

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 1090324