Detailed information for compound 38322

Basic information

Technical information
  • TDR Targets ID: 38322
  • Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl ]-1,6-dihydropyrimidin-2-one
  • MW: 230.218 | Formula: C9H14N2O5
  • H donors: 4 H acceptors: 4 LogP: -1.96 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1OC(C(C1O)O)N1C=CCNC1=O
  • InChi: 1S/C9H14N2O5/c12-4-5-6(13)7(14)8(16-5)11-3-1-2-10-9(11)15/h1,3,5-8,12-14H,2,4H2,(H,10,15)
  • InChiKey: NVRAAJMSMZQKRW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,6-dihydropyrimidin-2-one
  • 3-[3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-1,6-dihydropyrimidin-2-one
  • 3-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-1,6-dihydropyrimidin-2-one
  • 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,4-dihydropyrimidin-2-one
  • 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3,4-dihydropyrimidin-2-one
  • 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3,4-dihydropyrimidin-2-one
  • 1-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-3,4-dihydropyrimidin-2-one

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
Loa Loa (eye worm) thymidylate synthase 0.3936 0.4956 0.4923
Echinococcus multilocularis dihydrofolate reductase 0.7876 1 1
Onchocerca volvulus 0.0092 0.0035 0.0071
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.1873 0.2314 0.2335
Trichomonas vaginalis conserved hypothetical protein 0.1873 0.2314 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.3936 0.4956 0.4909
Schistosoma mansoni dihydrofolate reductase 0.7876 1 1
Chlamydia trachomatis dihydrofolate reductase 0.7876 1 0.5
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.7807 0.9912 0.5
Echinococcus multilocularis thymidylate synthase 0.3936 0.4956 0.4956
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.7807 0.9912 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.7876 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.0121 0.0055
Mycobacterium tuberculosis Hypothetical protein 0.1873 0.2314 0.2314
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.7876 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.7807 0.9912 1
Loa Loa (eye worm) dihydrofolate reductase 0.7876 1 1
Entamoeba histolytica cytidine deaminase, putative 0.0065 0 0.5
Echinococcus granulosus thymidylate synthase 0.3936 0.4956 0.4956
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.3936 0.4956 0.4956
Onchocerca volvulus 0.3936 0.4956 1
Brugia malayi thymidylate synthase 0.3936 0.4956 0.4956
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.0121 0.0121
Leishmania major dihydrofolate reductase-thymidylate synthase 0.7807 0.9912 1
Mycobacterium ulcerans thymidylate synthase 0.3936 0.4956 0.4956
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.0121 0.0121
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.7807 0.9912 0.5
Echinococcus granulosus dihydrofolate reductase 0.7876 1 1
Brugia malayi Dihydrofolate reductase 0.7876 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.0121 0.0121
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.3936 0.4956 0.4956
Brugia malayi MH2 domain containing protein 0.0117 0.0066 0.0066
Giardia lamblia Cytidine deaminase 0.0065 0 0.5
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.7807 0.9912 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.0121 0.0121
Brugia malayi hypothetical protein 0.1873 0.2314 0.2314
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.7876 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.000004 M Compound was tested for the inhibitory constant for mouse kidney cytidine deaminase ChEMBL. 3735306

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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