Detailed information for compound 170634

Basic information

Technical information
  • TDR Targets ID: 170634
  • Name: 1-[(2R,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-XLPZGREQSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxy-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione
  • 1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxy-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • 19316-85-9
  • 5'-Azido-5-methyl-2',5'-dideoxyuridine
  • 5'-N3-5-Me-ddU
  • AIDS-000231
  • AIDS000231
  • Thymidine, 5'-azido-5'-deoxy-
  • NSC 254064

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Wolbachia endosymbiont of Brugia malayi thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Leishmania infantum thymidylate kinase-like protein Get druggable targets OG5_126920 All targets in OG5_126920
Schistosoma japonicum Thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Echinococcus multilocularis thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Echinococcus granulosus thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Mycobacterium ulcerans thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Theileria parva thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Candida albicans Thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Plasmodium falciparum thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Candida albicans Thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Brugia malayi thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Leishmania braziliensis thymidylate kinase-like protein Get druggable targets OG5_126920 All targets in OG5_126920
Giardia lamblia CDC8 Get druggable targets OG5_126920 All targets in OG5_126920
Trypanosoma cruzi thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Trypanosoma brucei thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Plasmodium vivax thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Trichomonas vaginalis thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Plasmodium knowlesi thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) Get druggable targets OG5_126920 All targets in OG5_126920
Schistosoma mansoni thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Cryptosporidium hominis thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Chlamydia trachomatis thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Leishmania major thymidylate kinase-like protein Get druggable targets OG5_126920 All targets in OG5_126920
Schistosoma mansoni thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Loa Loa (eye worm) thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Schistosoma japonicum ko:K00943 dTMP kinase [EC2.7.4.9], putative Get druggable targets OG5_126920 All targets in OG5_126920
Entamoeba histolytica Thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Plasmodium yoelii Thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Onchocerca volvulus Putative thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Schistosoma mansoni hypothetical protein Get druggable targets OG5_126920 All targets in OG5_126920
Leishmania donovani thymidylate kinase-like protein Get druggable targets OG5_126920 All targets in OG5_126920
Plasmodium berghei thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Trypanosoma congolense thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Neospora caninum Thymidylate kinase, related Get druggable targets OG5_126920 All targets in OG5_126920
Babesia bovis thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Treponema pallidum thymidylate kinase (tmk) Get druggable targets OG5_126920 All targets in OG5_126920
Trypanosoma brucei gambiense thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Mycobacterium tuberculosis Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK) Get druggable targets OG5_126920 All targets in OG5_126920
Trypanosoma cruzi thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Trypanosoma congolense thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Cryptosporidium parvum thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Toxoplasma gondii thymidylate kinase Get druggable targets OG5_126920 All targets in OG5_126920
Leishmania mexicana thymidylate kinase-like protein Get druggable targets OG5_126920 All targets in OG5_126920
Trypanosoma brucei thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920
Trichomonas vaginalis thymidylate kinase, putative Get druggable targets OG5_126920 All targets in OG5_126920

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

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 0 % Activity of Escherichia coli thymidine phosphorylase assessed as drug phosphorylation after 2 hrs ChEMBL. 18272369
Activity (binding) = 0 % Activity of Escherichia coli thymidine phosphorylase assessed as drug phosphorylation after 1 hr ChEMBL. 18272369
Ki (binding) = 7 uM Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis ChEMBL. 12941330
Ki (binding) = 7 uM Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis ChEMBL. 12941330

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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