Detailed information for compound 995370

Basic information

Technical information
  • TDR Targets ID: 995370
  • Name: 5-(2-hydroxyethyl)-6-(4-methylphenyl)-2-(phen ylmethylsulfanyl)-1H-pyrimidin-4-one
  • MW: 352.45 | Formula: C20H20N2O2S
  • H donors: 2 H acceptors: 4 LogP: 4.12 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCc1c(O)nc(nc1c1ccc(cc1)C)SCc1ccccc1
  • InChi: 1S/C20H20N2O2S/c1-14-7-9-16(10-8-14)18-17(11-12-23)19(24)22-20(21-18)25-13-15-5-3-2-4-6-15/h2-10,23H,11-13H2,1H3,(H,21,22,24)
  • InChiKey: MMKBRXXCKNYUMD-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 5-(2-hydroxyethyl)-6-(4-methylphenyl)-2-(phenylmethylthio)-1H-pyrimidin-4-one
  • 2-(benzylthio)-5-(2-hydroxyethyl)-6-(4-methylphenyl)-1H-pyrimidin-4-one
  • NSC159878

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Hormone-sensitive lipase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis hormone sensitive lipase Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma japonicum Hormone-sensitive lipase, putative Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma mansoni hormone-sensitive lipase (S09 family) Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma mansoni hormone-sensitive lipase (S09 family) Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma japonicum ko:K07188 hormone-sensitive lipase [EC3.1.1.79], putative Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma japonicum Hormone-sensitive lipase, putative Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma mansoni hormone-sensitive lipase (S09 family) Get druggable targets OG5_132840 All targets in OG5_132840
Echinococcus granulosus hormone sensitive lipase Get druggable targets OG5_132840 All targets in OG5_132840
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132840 All targets in OG5_132840

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
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0222 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0222 1
Echinococcus granulosus geminin 0.0173 0.6283 0.6283
Leishmania major hypothetical protein, conserved 0.0037 0 0.5
Onchocerca volvulus 0.0037 0 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0142 0.4876 0.4876
Schistosoma mansoni hypothetical protein 0.0173 0.6283 0.6283
Onchocerca volvulus 0.0037 0 0.5
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0222 1
Mycobacterium ulcerans beta-lactamase 0.0037 0 0.5
Mycobacterium ulcerans lipase LipD 0.0037 0 0.5
Brugia malayi acetyltransferase, GNAT family protein 0.0142 0.4876 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0 0.5
Echinococcus multilocularis hormone sensitive lipase 0.0253 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0237 0.925 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0253 1 1
Schistosoma mansoni hypothetical protein 0.0173 0.6283 0.6283
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0042 0.0222 0.0222
Echinococcus multilocularis geminin 0.0173 0.6283 0.6283
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.4691 0.4691
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0142 0.4876 0.4876
Mycobacterium leprae Probable lipase LipE 0.0037 0 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0222 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.0061 0.5
Loa Loa (eye worm) acetyltransferase 0.0142 0.4876 0.4876
Loa Loa (eye worm) hypothetical protein 0.0253 1 1
Mycobacterium leprae conserved hypothetical protein 0.0037 0 0.5
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.0061 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0222 1
Trypanosoma brucei hypothetical protein, conserved 0.0037 0 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0 0.5
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.0061 0.5
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0253 1 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0253 1 1
Onchocerca volvulus 0.0037 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0037 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.98 uM Inhibition of HSL in Wistar rat isolated fat cells by spectrophotometric assay ChEMBL. 18808096
Inhibition (binding) = 45 % Inhibition of HSL in Wistar rat isolated fat cells at 1 uM by spectrophotometric assay ChEMBL. 18808096

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

No literature references available for this target.

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