Detailed information for compound 444357

Basic information

Technical information
  • TDR Targets ID: 444357
  • Name: 6-chloro-5-phenyl-1H-pyrimidine-2,4-dione
  • MW: 222.628 | Formula: C10H7ClN2O2
  • H donors: 2 H acceptors: 2 LogP: 1.5 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1[nH]c(=O)[nH]c(=O)c1c1ccccc1
  • InChi: 1S/C10H7ClN2O2/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)
  • InChiKey: ORRYLQRWCPCGJZ-UHFFFAOYSA-N  


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Network

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Synonyms

  • 6-chloro-5-phenyl-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 tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine 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 ulcerans 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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tyrosine kinase 0.0302 0.3103 0.4997
Echinococcus multilocularis epidermal growth factor receptor 0.0162 0.1024 0.1024
Echinococcus multilocularis thymidine phosphorylase 0.0765 1 1
Brugia malayi Furin-like cysteine rich region family protein 0.0302 0.3103 0.5915
Echinococcus granulosus epidermal growth factor receptor 0.0162 0.1024 0.0983
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.0765 1 1
Echinococcus multilocularis insulin receptor 0.0097 0.0045 0.0045
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0216 0.1824 0.5
Schistosoma mansoni tyrosine kinase 0.0162 0.1024 0.1599
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0097 0.0045 0.0045
Schistosoma mansoni protein kinase 0.0508 0.6166 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0302 0.3103 0.5915
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0508 0.6166 0.6148
Schistosoma mansoni tyrosine kinase 0.0162 0.1024 0.1599
Schistosoma mansoni protein kinase 0.0508 0.6166 1
Echinococcus granulosus epidermal growth factor receptor 0.0302 0.3103 0.3072
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0444 0.5215 1
Schistosoma mansoni tyrosine kinase 0.0161 0.0998 0.1557
Schistosoma mansoni tyrosine kinase 0.0161 0.0998 0.1557
Mycobacterium ulcerans thymidine phosphorylase 0.0765 1 1
Echinococcus multilocularis epidermal growth factor receptor 0.0302 0.3103 0.3103
Schistosoma mansoni tyrosine kinase 0.0161 0.0998 0.1557
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0508 0.6166 0.6166
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase subunit type II alpha 0.0444 0.5215 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0162 0.1024 0.0983
Schistosoma mansoni protein kinase 0.0508 0.6166 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.4 uM Inhibition of human recombinant thymidine phosphorylase expressed in V79 cells ChEMBL. 17963370
Ki (binding) = 0.4 uM Inhibition of human recombinant thymidine phosphorylase expressed in V79 cells ChEMBL. 17963370
Ki (binding) = 0.43 uM Inhibition of human placental thymidine phosphorylase ChEMBL. 17963370
Ki (binding) = 0.43 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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