Detailed information for compound 217654

Basic information

Technical information
  • TDR Targets ID: 217654
  • Name: 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-[(3-p ropoxyphenyl)methyl]pyrimidine-2,4-dione
  • MW: 364.393 | Formula: C18H24N2O6
  • H donors: 3 H acceptors: 4 LogP: 0.65 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOc1cccc(c1)Cc1cn(COC(CO)CO)c(=O)[nH]c1=O
  • InChi: 1S/C18H24N2O6/c1-2-6-25-15-5-3-4-13(8-15)7-14-9-20(18(24)19-17(14)23)12-26-16(10-21)11-22/h3-5,8-9,16,21-22H,2,6-7,10-12H2,1H3,(H,19,23,24)
  • InChiKey: GFWYTORHRMJMKU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-5-[(3-propoxyphenyl)methyl]pyrimidine-2,4-dione
  • 1-[(2-hydroxy-1-methylol-ethoxy)methyl]-5-(3-propoxybenzyl)pyrimidine-2,4-quinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus uridine phosphorylase 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K00757 uridine phosphorylase [EC2.4.2.3], putative Get druggable targets OG5_131462 All targets in OG5_131462
Mycobacterium leprae probable uridine phosphorylase Get druggable targets OG5_131462 All targets in OG5_131462
Schistosoma mansoni uridine phosphorylase Get druggable targets OG5_131462 All targets in OG5_131462
Echinococcus multilocularis uridine phosphorylase 1 Get druggable targets OG5_131462 All targets in OG5_131462
Schistosoma mansoni uridine phosphorylase Get druggable targets OG5_131462 All targets in OG5_131462
Schistosoma japonicum ko:K00757 uridine phosphorylase [EC2.4.2.3], putative Get druggable targets OG5_131462 All targets in OG5_131462
Loa Loa (eye worm) uridine phosphorylase Get druggable targets OG5_131462 All targets in OG5_131462
Brugia malayi uridine phosphorylase family protein Get druggable targets OG5_131462 All targets in OG5_131462
Echinococcus granulosus uridine phosphorylase 1 Get druggable targets OG5_131462 All targets in OG5_131462
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei uridine phosphorylase uridine phosphorylase 1 311 aa 250 aa 22.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) TAR-binding protein 0.0123 0.3357 0.4686
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0143 0.4114 0.4114
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0452 0.0631
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0123 0.3357 0.4686
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0032 0 0.5
Schistosoma mansoni uridine phosphorylase 0.0226 0.7163 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0303 1 1
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0032 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0032 0 0.5
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0032 0 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0741 0.0741
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0032 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0123 0.3357 0.4686
Echinococcus multilocularis tar DNA binding protein 0.0123 0.3357 0.4686
Mycobacterium leprae probable uridine phosphorylase 0.0226 0.7163 1
Schistosoma mansoni tar DNA-binding protein 0.0123 0.3357 0.4686
Schistosoma mansoni transcription factor LCR-F1 0.0069 0.1356 0.1894
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0069 0.1356 0.1894
Mycobacterium ulcerans hypothetical protein 0.016 0.4712 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0452 0.0631
Entamoeba histolytica hypothetical protein 0.0069 0.1356 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0452 0.0631
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0032 0 0.5
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0397 0.0397
Plasmodium falciparum purine nucleoside phosphorylase 0.0032 0 0.5
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0143 0.4114 0.4114
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0452 0.0631
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0032 0 0.5
Entamoeba histolytica hypothetical protein 0.0069 0.1356 1
Schistosoma mansoni tar DNA-binding protein 0.0123 0.3357 0.4686
Brugia malayi RNA binding protein 0.0123 0.3357 0.4686
Mycobacterium tuberculosis Conserved hypothetical protein 0.016 0.4712 1
Schistosoma mansoni tar DNA-binding protein 0.0123 0.3357 0.4686
Loa Loa (eye worm) uridine phosphorylase 0.0226 0.7163 1
Brugia malayi RNA recognition motif domain containing protein 0.0123 0.3357 0.4686
Treponema pallidum uridine phosphorylase (udp) 0.0032 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0123 0.3357 0.4686
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0397 0.0397
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0032 0 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0397 0.0397
Schistosoma mansoni uridine phosphorylase 0.0226 0.7163 1
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0032 0 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0143 0.4114 0.4114
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0303 1 1
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0032 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0069 0.1356 0.1894
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0452 0.0631
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0452 0.0631
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0032 0 0.5
Schistosoma mansoni hypothetical protein 0.0069 0.1356 0.1894
Schistosoma mansoni tar DNA-binding protein 0.0123 0.3357 0.4686
Treponema pallidum pfs protein (pfs) 0.0032 0 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0303 1 1
Loa Loa (eye worm) RNA binding protein 0.0123 0.3357 0.4686
Entamoeba histolytica hypothetical protein 0.0069 0.1356 1
Toxoplasma gondii hypothetical protein 0.0049 0.0628 1
Giardia lamblia UPL-1 0.0032 0 0.5
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0397 0.0397
Entamoeba histolytica hypothetical protein 0.0069 0.1356 1
Brugia malayi uridine phosphorylase family protein 0.0226 0.7163 1
Chlamydia trachomatis AMP nucleosidase 0.0032 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0032 0 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0032 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0452 0.0631
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0032 0 0.5
Brugia malayi TAR-binding protein 0.0123 0.3357 0.4686
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0452 0.0631
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0032 0 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0032 0 0.5
Brugia malayi hypothetical protein 0.0069 0.1356 0.1894
Echinococcus granulosus uridine phosphorylase 1 0.0226 0.7163 1
Echinococcus multilocularis uridine phosphorylase 1 0.0226 0.7163 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0452 0.0631

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.06 uM Inhibition of uridine phosphorylase (UrdPase) from murine liver. ChEMBL. 7562916
IC50 (binding) = 0.06 uM Inhibition of uridine phosphorylase (UrdPase) from murine liver. ChEMBL. 7562916

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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