Detailed information for compound 49804

Basic information

Technical information
  • TDR Targets ID: 49804
  • Name: 1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidi ne-2,4-dione
  • MW: 216.191 | Formula: C8H12N2O5
  • H donors: 3 H acceptors: 4 LogP: -2.14 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC(OCn1ccc(=O)[nH]c1=O)CO
  • InChi: 1S/C8H12N2O5/c11-3-6(4-12)15-5-10-2-1-7(13)9-8(10)14/h1-2,6,11-12H,3-5H2,(H,9,13,14)
  • InChiKey: GHWIJQWTBHKBBJ-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]pyrimidine-2,4-dione
  • 1-[(2-hydroxy-1-methylol-ethoxy)methyl]pyrimidine-2,4-quinone
  • AIDS-024031
  • AIDS024031
  • UR-9011

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0438 0.9706 0.9706
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0446 1 1
Loa Loa (eye worm) hypothetical protein 0.0438 0.9706 0.9604
Schistosoma mansoni 6-phosphofructokinase 0.0446 1 0.5
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0263 0.2852 0.5
Onchocerca volvulus 0.0446 1 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0446 1 1
Trypanosoma brucei 6-phosphofructo-2-kinase 2 0.0438 0.9706 0.9706
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.0446 1 0.5
Giardia lamblia Hypothetical protein 0.0263 0.2852 0.5
Mycobacterium ulcerans hypothetical protein 0.0263 0.2852 0.5
Giardia lamblia Hypothetical protein 0.0263 0.2852 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0438 0.9706 0.9706
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0446 1 1
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 0.0438 0.9706 0.9706
Loa Loa (eye worm) hypothetical protein 0.0446 1 1
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.0263 0.2852 0.5
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.0446 1 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 462 uM Cytotoxicity against human HepG2 cell line ChEMBL. 16759112
CC50 (functional) > 462 uM Cytotoxicity against Vero cell line ChEMBL. 16759112
CC50 (functional) > 462 uM Cytotoxicity against human HepG2 cell line ChEMBL. 16759112
IC50 (functional) > 100 uM Inhibition of growth of varicella zoster virus(VZV) by plaque reduction assay in vero cell line ChEMBL. 2826784
IC50 (functional) > 100 uM Growth inhibition of human HeLa cells after 72 hrs by MTT assay ChEMBL. 18640746
IC50 (functional) > 100 uM Growth inhibition of human MIAPaCa2 cells after 72 hrs by MTT assay ChEMBL. 18640746
IC50 (functional) > 100 uM Growth inhibition of human SW620 cells after 72 hrs by MTT assay ChEMBL. 18640746
IC50 (functional) > 100 uM Growth inhibition of human MCF7 cells after 72 hrs by MTT assay ChEMBL. 18640746
IC50 (functional) > 100 uM Growth inhibition of human H460 cells after 72 hrs by MTT assay ChEMBL. 18640746
IC50 (functional) > 250 uM Inhibition of growth of human cytomegalovirus (HCMV) was determined by plaque reduction assay in human lung fibroblast cell line ChEMBL. 2826784
ID50 (functional) > 100 uM Antiviral activity was determined in plaque reduction assay in vero cells against HSV-1 F strain ChEMBL. 3871860
Inhibition (functional) 0 Antiviral activity against HBV M204I mutant transfected in B1 cell line at 10 ug/mL ChEMBL. 16759112
Inhibition (functional) 0 Antiviral activity against HBV L180M/M204V mutant transfected in D88 cell line at 10 ug/mL ChEMBL. 16759112
Inhibition (functional) = 0 % Antiviral activity against duck HBV in primary duck hepatocytes at 10 ug/mL ChEMBL. 16759112
Inhibition (functional) = 0 % Antiviral activity against wild type HBV in human hepatoma 2.2.15 cells at 10 ug/mL ChEMBL. 16759112

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

3 literature references were collected for this gene.

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