Detailed information for compound 449140

Basic information

Technical information
  • TDR Targets ID: 449140
  • Name: 1-[(2S,4S,5R)-5-(azidomethyl)-4-hydroxyoxolan -2-yl]-5-methylpyrimidine-2,4-dione
  • MW: 267.241 | Formula: C10H13N5O4
  • H donors: 2 H acceptors: 3 LogP: 0.08 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: [N-]=[N+]=NC[C@H]1O[C@@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
  • InChi: 1S/C10H13N5O4/c1-5-4-15(10(18)13-9(5)17)8-2-6(16)7(19-8)3-12-14-11/h4,6-8,16H,2-3H2,1H3,(H,13,17,18)/t6-,7+,8-/m0/s1
  • InChiKey: GKEHVJFBPNPCKI-RNJXMRFFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(2S,4S,5R)-5-(azidomethyl)-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2S,4S,5R)-5-(azidomethyl)-4-hydroxy-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione
  • 1-[(2S,4S,5R)-5-(azidomethyl)-4-hydroxy-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2S,4S,5R)-5-(azidomethyl)-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone

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
Chlamydia trachomatis thymidylate kinase 0.0087 0.8037 0.5
Trichomonas vaginalis CMGC family protein kinase 0.01 1 1
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.01 1 1
Leishmania major thymidylate kinase-like protein 0.0087 0.8037 0.8037
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.01 1 1
Entamoeba histolytica protein kinase domain containing protein 0.01 1 1
Plasmodium falciparum glycogen synthase kinase 3 0.01 1 1
Entamoeba histolytica protein kinase domain containing protein 0.01 1 1
Trypanosoma brucei protein kinase, putative 0.01 1 1
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.01 1 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.01 1 1
Echinococcus multilocularis protein kinase shaggy 0.01 1 1
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.01 1 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.01 1 1
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0087 0.8037 0.5
Giardia lamblia Kinase, CMGC GSK 0.01 1 1
Trypanosoma cruzi thymidylate kinase, putative 0.0087 0.8037 0.8037
Echinococcus granulosus protein kinase shaggy 0.01 1 1
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) 0.0087 0.8037 0.5
Mycobacterium ulcerans thymidylate kinase 0.0087 0.8037 0.5
Entamoeba histolytica protein kinase, putative 0.01 1 1
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0087 0.8037 0.5
Trichomonas vaginalis CMGC family protein kinase 0.01 1 1
Treponema pallidum thymidylate kinase (tmk) 0.0087 0.8037 0.5
Loa Loa (eye worm) CMGC/GSK protein kinase 0.01 1 1
Trypanosoma cruzi thymidylate kinase, putative 0.0087 0.8037 0.8037
Onchocerca volvulus 0.01 1 1
Echinococcus granulosus glycogen synthase kinase 3 beta 0.01 1 1
Giardia lamblia Kinase, CMGC GSK 0.01 1 1
Plasmodium vivax glycogen synthase kinase 3, putative 0.01 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 26.5 uM Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay ChEMBL. 17910427
Ki (binding) = 26.5 uM Competitive inhibition of Mycobacterium tuberculosis TMPK by Lineweaver-Burk analysis ChEMBL. 22061826
Ki (binding) = 26.5 uM Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay ChEMBL. 17910427

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

2 literature references were collected for this gene.

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