Detailed information for compound 444373

Basic information

Technical information
  • TDR Targets ID: 444373
  • Name: 6-chloro-5-[(E)-pent-1-enyl]-1H-pyrimidine-2, 4-dione
  • MW: 214.649 | Formula: C9H11ClN2O2
  • H donors: 2 H acceptors: 2 LogP: 1.86 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC/C=C/c1c(Cl)[nH]c(=O)[nH]c1=O
  • InChi: 1S/C9H11ClN2O2/c1-2-3-4-5-6-7(10)11-9(14)12-8(6)13/h4-5H,2-3H2,1H3,(H2,11,12,13,14)/b5-4+
  • InChiKey: FZCKCDUWPFRLEF-SNAWJCMRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-chloro-5-[(E)-pent-1-enyl]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
Echinococcus multilocularis thymidine 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
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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tyrosine kinase 0.0151 0.1701 0.2826
Loa Loa (eye worm) TK/EGFR protein kinase 0.0471 0.6019 0.8573
Toxoplasma gondii AGC kinase 0.0128 0.1389 1
Giardia lamblia Kinase, AGC PKA 0.0128 0.1389 1
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0089 0.0858 0.0858
Echinococcus granulosus epidermal growth factor receptor 0.0471 0.6019 0.6019
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0128 0.1389 0.1389
Leishmania major protein kinase A catalytic subunit 0.0128 0.1389 0.196
Schistosoma mansoni serine/threonine-protein kinase 0.0039 0.0188 0.0312
Echinococcus granulosus tyrosine protein kinase Src42A 0.0037 0.0156 0.0156
Echinococcus granulosus serine/threonine protein kinase 0.0039 0.0188 0.0188
Schistosoma mansoni tyrosine kinase 0.0254 0.3083 0.5122
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.0128 0.1389 0.196
Brugia malayi Protein kinase domain containing protein 0.0054 0.0384 0.0547
Brugia malayi p70 ribosomal S6 kinase beta 0.0054 0.0384 0.0547
Entamoeba histolytica protein kinase, putative 0.0054 0.0384 0.2763
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0216 0.2576 1
Echinococcus multilocularis tyrosine protein kinase HCK 0.0037 0.0151 0.0151
Brugia malayi protein-tyrosine kinase 0.0041 0.0208 0.0296
Trichomonas vaginalis AGC family protein kinase 0.0054 0.0384 0.2763
Schistosoma mansoni tyrosine kinase 0.0471 0.6019 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0264 0.0264
Onchocerca volvulus Matrix metalloproteinase homolog 0.0054 0.039 1
Trichomonas vaginalis AGC family protein kinase 0.0054 0.0384 0.2763
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0041 0.0208 0.0208
Loa Loa (eye worm) TK protein kinase 0.0037 0.0151 0.0215
Schistosoma mansoni tyrosine kinase 0.0045 0.0264 0.0438
Loa Loa (eye worm) SRC-1 0.0045 0.0264 0.0376
Schistosoma mansoni serine/threonine-protein kinase 0.0039 0.0188 0.0312
Entamoeba histolytica protein kinase, putative 0.0037 0.0151 0.1087
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0545 0.7021 1
Onchocerca volvulus Matrilysin homolog 0.0054 0.039 1
Brugia malayi SRC-1 0.0045 0.0264 0.0376
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.0128 0.1389 0.196
Trichomonas vaginalis AGC family protein kinase 0.0054 0.0384 0.2763
Brugia malayi Protein kinase domain containing protein 0.0151 0.1701 0.2423
Echinococcus multilocularis Glutaredoxin protein 5 0.0028 0.0041 0.0041
Trichomonas vaginalis AGC family protein kinase 0.0054 0.0384 0.2763
Echinococcus multilocularis tyrosine protein kinase Blk 0.0041 0.0208 0.0208
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0264 0.0264
Trypanosoma cruzi Protein kinase B 0.0039 0.0188 0.0245
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0045 0.0264 0.0264
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0128 0.1389 0.1389
Echinococcus granulosus tyrosine kinase 0.0041 0.0208 0.0208
Echinococcus multilocularis nervana 2 0.0028 0.0041 0.0041
Echinococcus granulosus tyrosine protein kinase Src42A 0.0045 0.0264 0.0264
Echinococcus multilocularis 0.0145 0.1621 0.1621
Leishmania major protein kinase A catalytic subunit isoform 2 0.0128 0.1389 0.196
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0089 0.0858 0.0858
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0128 0.1389 0.1389
Loa Loa (eye worm) TK protein kinase 0.0041 0.0208 0.0296
Echinococcus multilocularis epidermal growth factor receptor 0.0254 0.3083 0.3083
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0045 0.0264 0.0264
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0545 0.7021 1
Echinococcus granulosus serine threonine protein kinase nrc 0.0039 0.0188 0.0188
Trichomonas vaginalis AGC family protein kinase 0.0054 0.0384 0.2763
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0117 0.1242 0.1242
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.0128 0.1389 0.196
Echinococcus granulosus mitogen activated protein kinase 14 0.0545 0.7021 0.7021
Schistosoma mansoni hypothetical protein 0.0035 0.0125 0.0208
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0545 0.7021 1
Echinococcus multilocularis rac serine:threonine kinase 0.0039 0.0188 0.0188
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0151 0.1701 0.1701
Echinococcus granulosus tyrosine protein kinase Blk 0.0041 0.0208 0.0208
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0128 0.1389 0.196
Brugia malayi Furin-like cysteine rich region family protein 0.0471 0.6019 0.8573
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0039 0.0188 0.0188
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0016 0.0023
Schistosoma mansoni tyrosine kinase 0.025 0.3031 0.5035
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0128 0.1389 0.1979
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0028 0.0041 0.0041
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0128 0.1389 0.1389
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0128 0.1389 0.196
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.0128 0.1389 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0045 0.0264 0.0264
Entamoeba histolytica protein kinase, putative 0.0054 0.0384 0.2763
Schistosoma mansoni tyrosine kinase 0.0254 0.3083 0.5122
Entamoeba histolytica protein kinase 2, putative 0.0039 0.0188 0.1354
Loa Loa (eye worm) AGC/PKA protein kinase 0.0128 0.1389 0.1979
Brugia malayi Cytochrome P450 family protein 0.0027 0.0016 0.0023
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0039 0.0188 0.0188
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0045 0.0264 0.0264
Echinococcus granulosus nervana 2 0.0028 0.0041 0.0041
Entamoeba histolytica PH domain containing protein kinase, putative 0.0039 0.0188 0.1354
Echinococcus multilocularis mitogen activated protein kinase 14 0.0545 0.7021 0.7021
Trichomonas vaginalis AGC family protein kinase 0.0128 0.1389 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0151 0.1701 0.1701
Loa Loa (eye worm) AGC/PKA protein kinase 0.0128 0.1389 0.1979
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0028 0.0041 0.0041
Leishmania major protein kinase A catalytic subunit isoform 1 0.0128 0.1389 0.196
Entamoeba histolytica protein kinase, putative 0.0054 0.0384 0.2763
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0128 0.1389 0.1389
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0264 0.0264
Schistosoma mansoni serine/threonine protein kinase 0.0128 0.1389 0.2308
Schistosoma mansoni serine/threonine protein kinase 0.0128 0.1389 0.2308
Mycobacterium ulcerans thymidine phosphorylase 0.0765 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.0264 0.0264
Schistosoma mansoni tyrosine kinase 0.025 0.3031 0.5035
Loa Loa (eye worm) matrixin family protein 0.0054 0.039 0.0555
Entamoeba histolytica PH domain containing protein kinase, putative 0.0128 0.1389 1
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.0216 0.2576 0.2532
Loa Loa (eye worm) matrixin family protein 0.0059 0.0456 0.0649
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0254 0.3083 0.3083
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0054 0.0384 0.0547
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.0208 0.0208
Echinococcus multilocularis nervana 2 0.0028 0.0041 0.0041
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0039 0.0188 0.0245
Echinococcus granulosus nervana 2 0.0028 0.0041 0.0041
Echinococcus multilocularis tyrosine protein kinase Srms 0.0041 0.0208 0.0208
Echinococcus granulosus Glutaredoxin protein 5 0.0028 0.0041 0.0041
Echinococcus granulosus tyrosine protein kinase Lyn 0.0056 0.0411 0.0411
Echinococcus multilocularis mitogen activated protein kinase 14 0.0545 0.7021 0.7021
Echinococcus granulosus tyrosine protein kinase Src64B 0.0045 0.0264 0.0264
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.0128 0.1389 1
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0128 0.1389 0.1389
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0045 0.0264 0.0264
Echinococcus multilocularis epidermal growth factor receptor 0.0471 0.6019 0.6019
Loa Loa (eye worm) CYP4Cod1 0.0027 0.0016 0.0023
Schistosoma mansoni tyrosine kinase 0.025 0.3031 0.5035
Echinococcus multilocularis mitogen activated protein kinase 11 0.0545 0.7021 0.7021
Echinococcus granulosus insulin receptor 0.0151 0.1701 0.1701
Schistosoma mansoni tyrosine kinase 0.0151 0.1701 0.2826
Entamoeba histolytica PH domain containing protein kinase, putative 0.0128 0.1389 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0045 0.0264 0.0264
Echinococcus granulosus epidermal growth factor receptor 0.0254 0.3083 0.3083
Brugia malayi Matrixin family protein 0.0059 0.0456 0.0649
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0216 0.2576 0.2564
Toxoplasma gondii AGC kinase 0.0128 0.1389 1
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0545 0.7021 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0016 0.0023
Trypanosoma brucei rac serine-threonine kinase, putative 0.0054 0.0384 0.0525
Echinococcus granulosus tyrosine protein kinase HCK 0.0037 0.0151 0.0151
Echinococcus granulosus mitogen activated protein kinase 11 0.0545 0.7021 0.7021
Loa Loa (eye worm) hypothetical protein 0.003 0.0059 0.0085
Loa Loa (eye worm) TK/INSR protein kinase 0.0151 0.1701 0.2423
Schistosoma mansoni tyrosine kinase 0.0045 0.0264 0.0438
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.003 0.0059 0.0085
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0264 0.0264
Mycobacterium ulcerans hydrolase 0.003 0.0059 0.0043
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.0128 0.1389 0.196
Echinococcus multilocularis insulin receptor 0.0151 0.1701 0.1701
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0128 0.1389 0.1389
Entamoeba histolytica PH domain containing protein kinase, putative 0.0039 0.0188 0.1354
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0117 0.1242 0.1242
Schistosoma mansoni serine/threonine protein kinase 0.0128 0.1389 0.2308
Echinococcus multilocularis thymidine phosphorylase 0.0765 1 1
Loa Loa (eye worm) AGC/AKT protein kinase 0.0054 0.0384 0.0547
Trichomonas vaginalis AGC family protein kinase 0.0054 0.0384 0.2763
Brugia malayi Cytochrome P450 family protein 0.0027 0.0016 0.0023
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.0765 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.0264 0.0264
Loa Loa (eye worm) hypothetical protein 0.0128 0.1389 0.1979
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0037 0.0156 0.0156
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0545 0.7021 1
Brugia malayi P38 map kinase family protein 2 0.0545 0.7021 1
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.0128 0.1389 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0045 0.0264 0.0264
Trichomonas vaginalis AGC family protein kinase 0.0054 0.0384 0.2763
Brugia malayi Hemopexin family protein 0.0035 0.0125 0.0179
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.0128 0.1389 0.196
Echinococcus multilocularis mitogen activated protein kinase 11 0.0545 0.7021 0.7021
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0039 0.0188 0.0245
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0045 0.0264 0.0264

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.41 uM Inhibition of human recombinant thymidine phosphorylase expressed in V79 cells ChEMBL. 17963370
Ki (binding) = 0.41 uM Inhibition of human recombinant thymidine phosphorylase expressed in V79 cells ChEMBL. 17963370
Ki (binding) = 0.91 uM Inhibition of human placental thymidine phosphorylase ChEMBL. 17963370
Ki (binding) = 0.91 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

Bibliographic References

1 literature reference was collected for this gene.

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