TDR Targets

Basic information

Technical information

TDR Targets ID: 444372
Name: 5-[(E)-but-1-enyl]-6-chloro-1H-pyrimidine-2,4 -dione
MW: 200.622 | Formula: C8H9ClN2O2
H donors: 2 H acceptors: 2 LogP: 1.31 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CC/C=C/c1c(Cl)[nH]c(=O)[nH]c1=O
InChi: 1S/C8H9ClN2O2/c1-2-3-4-5-6(9)10-8(13)11-7(5)12/h3-4H,2H2,1H3,(H2,10,11,12,13)/b4-3+
InChiKey: KZMSONOYUPDLCQ-ONEGZZNKSA-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-[(E)-but-1-enyl]-6-chloro-uracil

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	thymidine phosphorylase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
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
Mycobacterium tuberculosis	Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine 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
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0517	0.6655	0.663
Echinococcus granulosus	serine threonine protein kinase nrc	0.0037	0.0186	0.0114
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0167	0.193	0.1871
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0037	0.0186	0.0225
Trichomonas vaginalis	AGC family protein kinase	0.0052	0.0383	0.5
Echinococcus granulosus	epidermal growth factor receptor	0.0309	0.385	0.3805
Trichomonas vaginalis	AGC family protein kinase	0.0052	0.0383	0.5
Giardia lamblia	Kinase, AGC PKA	0.0037	0.0186	0.5
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0037	0.0186	0.0114
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0042	0.0252	0.018
Echinococcus granulosus	insulin receptor	0.01	0.1027	0.0961
Entamoeba histolytica	protein kinase, putative	0.0052	0.0383	1
Mycobacterium ulcerans	hydrolase	0.0028	0.0068	0.0031
Trichomonas vaginalis	AGC family protein kinase	0.0052	0.0383	0.5
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0042	0.0252	0.018
Echinococcus multilocularis		0.0095	0.097	0.0904
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0309	0.385	0.5785
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0042	0.0252	0.018
Brugia malayi	protein-tyrosine kinase	0.0038	0.0199	0.0299
Trichomonas vaginalis	AGC family protein kinase	0.0052	0.0383	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0042	0.0252	0.018
Echinococcus granulosus	epidermal growth factor receptor	0.0167	0.193	0.1871
Echinococcus granulosus	mitogen activated protein kinase 11	0.0517	0.6655	0.663
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0038	0.0199	0.0127
Echinococcus multilocularis	epidermal growth factor receptor	0.0309	0.385	0.3805
Echinococcus granulosus	serine/threonine protein kinase	0.0037	0.0186	0.0114
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0042	0.0252	0.018
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0038	0.0199	0.0127
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0517	0.6655	0.663
Trichomonas vaginalis	AGC family protein kinase	0.0052	0.0383	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0038	0.0199	0.0127
Echinococcus multilocularis	insulin receptor	0.01	0.1027	0.0961
Schistosoma mansoni	tyrosine kinase	0.01	0.1027	0.2668
Brugia malayi	Protein kinase domain containing protein	0.0052	0.0383	0.0576
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0037	0.0186	0.5
Echinococcus granulosus	tyrosine kinase	0.0038	0.0199	0.0127
Schistosoma mansoni	tyrosine kinase	0.0164	0.1891	0.4913
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0042	0.0252	0.018
Onchocerca volvulus	Matrilysin homolog	0.0052	0.0382	1
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0037	0.0186	0.0114
Brugia malayi	Matrixin family protein	0.0056	0.0445	0.0669
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0042	0.0252	0.018
Loa Loa (eye worm)	TK protein kinase	0.0038	0.0199	0.0299
Brugia malayi	Protein kinase domain containing protein	0.01	0.1027	0.1543
Schistosoma mansoni	tyrosine kinase	0.0167	0.193	0.5014
Mycobacterium ulcerans	thymidine phosphorylase	0.0765	1	1
Brugia malayi	p70 ribosomal S6 kinase beta	0.0052	0.0383	0.0576
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0517	0.6655	0.663
Mycobacterium tuberculosis	Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase)	0.0765	1	1
Loa Loa (eye worm)	matrixin family protein	0.0052	0.0382	0.0574
Echinococcus granulosus	mitogen activated protein kinase 14	0.0517	0.6655	0.663
Brugia malayi	SRC-1	0.0042	0.0252	0.0379
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0028	0.0068	0.0103
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0517	0.6655	1
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0517	0.6655	1
Schistosoma mansoni	serine/threonine-protein kinase	0.0037	0.0186	0.0483
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0034	0.0145	0.0073
Trichomonas vaginalis	AGC family protein kinase	0.0052	0.0383	0.5
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0068	0.0103
Schistosoma mansoni	tyrosine kinase	0.0164	0.1891	0.4913
Schistosoma mansoni	serine/threonine-protein kinase	0.0037	0.0186	0.0483
Schistosoma mansoni	tyrosine kinase	0.0309	0.385	1
Brugia malayi	Cytochrome P450 family protein	0.0026	0.0037	0.0056
Loa Loa (eye worm)	TK protein kinase	0.0034	0.0145	0.0218
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0042	0.0252	0.018
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0042	0.0252	0.018
Schistosoma mansoni	tyrosine kinase	0.01	0.1027	0.2668
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0037	0.0186	0.1725
Echinococcus multilocularis	epidermal growth factor receptor	0.0167	0.193	0.1871
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0037	0.0186	0.0225
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0517	0.6655	1
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0517	0.6655	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0037	0.0056
Trypanosoma cruzi	Protein kinase B	0.0037	0.0186	0.0225
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0038	0.0199	0.0127
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0042	0.0252	0.018
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0037	0.0186	0.5
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0052	0.0383	0.0523
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.01	0.1027	0.0961
Brugia malayi	Hemopexin family protein	0.0033	0.0131	0.0197
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0035	0.016	0.0088
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0042	0.0252	0.018
Onchocerca volvulus		0.0033	0.0131	0.3431
Schistosoma mansoni	tyrosine kinase	0.0164	0.1891	0.4913
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0042	0.0252	0.018
Loa Loa (eye worm)	matrixin family protein	0.0056	0.0445	0.0669
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0052	0.0382	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0042	0.0252	0.018
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0037	0.0186	0.1725
Loa Loa (eye worm)	SRC-1	0.0042	0.0252	0.0379
Schistosoma mansoni	hypothetical protein	0.0033	0.0131	0.0341
Brugia malayi	Furin-like cysteine rich region family protein	0.0309	0.385	0.5785
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0037	0.0056
Entamoeba histolytica	protein kinase, putative	0.0052	0.0383	1
Echinococcus multilocularis	rac serine:threonine kinase	0.0037	0.0186	0.0114
Brugia malayi	P38 map kinase family protein 2	0.0517	0.6655	1
Mycobacterium ulcerans	anthranilate phosphoribosyltransferase	0.0216	0.2597	0.257
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0042	0.0252	0.018
Entamoeba histolytica	protein kinase, putative	0.0052	0.0383	1
Echinococcus multilocularis	thymidine phosphorylase	0.0765	1	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0035	0.016	0.0088
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.01	0.1027	0.0961
Loa Loa (eye worm)	CYP4Cod1	0.0026	0.0037	0.0056
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0052	0.0383	0.0576
Mycobacterium leprae	Probable anthranilate phosphoribosyltransferase TrpD	0.0216	0.2597	1
Mycobacterium tuberculosis	Probable anthranilate phosphoribosyltransferase TrpD	0.0216	0.2597	0.2546
Schistosoma mansoni	tyrosine kinase	0.0167	0.193	0.5014
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0042	0.0252	0.018
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0085	0.0827	0.076
Echinococcus granulosus	tyrosine protein kinase Blk	0.0038	0.0199	0.0127
Trichomonas vaginalis	AGC family protein kinase	0.0052	0.0383	0.5
Schistosoma mansoni	tyrosine kinase	0.0042	0.0252	0.0654
Loa Loa (eye worm)	TK/INSR protein kinase	0.01	0.1027	0.1543
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0517	0.6655	0.663
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0042	0.0252	0.018
Echinococcus granulosus	tyrosine protein kinase HCK	0.0034	0.0145	0.0073
Schistosoma mansoni	tyrosine kinase	0.0042	0.0252	0.0654
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0517	0.6655	1
Brugia malayi	Cytochrome P450 family protein	0.0026	0.0037	0.0056
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0085	0.0827	0.076
Entamoeba histolytica	protein kinase 2, putative	0.0037	0.0186	0.1725
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0052	0.0383	0.0576
Toxoplasma gondii	AGC kinase	0.0052	0.0383	0.5
Echinococcus granulosus	tyrosine protein kinase Lyn	0.005	0.0365	0.0294

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.63 uM	Inhibition of human recombinant thymidine phosphorylase expressed in V79 cells	ChEMBL.	17963370
Ki (binding)	= 0.63 uM	Inhibition of human recombinant thymidine phosphorylase expressed in V79 cells	ChEMBL.	17963370
Ki (binding)	= 0.92 uM	Inhibition of human placental thymidine phosphorylase	ChEMBL.	17963370
Ki (binding)	= 0.92 uM	Inhibition of human placental thymidine phosphorylase	ChEMBL.	17963370

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: CHEMBL396865
PubChem: 23648525

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 444372