Detailed information for compound 547433

Basic information

Technical information
  • TDR Targets ID: 547433
  • Name: [hydroxy-[[(1S,2R,4R,5R)-4-(5-methyl-2,4-diox o-pyrimidin-1-yl)-3-oxa-6-thiabicyclo[3.1.0]h exan-2-yl]methoxy]phosphoryl] phosphono hydro gen phosphate
  • MW: 496.218 | Formula: C10H15N2O13P3S
  • H donors: 5 H acceptors: 9 LogP: -3.98 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1[nH]c(=O)n(cc1C)[C@@H]1O[C@@H]([C@H]2[C@@H]1S2)COP(=O)(OP(=O)(OP(=O)(O)O)O)O
  • InChi: 1S/C10H15N2O13P3S/c1-4-2-12(10(14)11-8(4)13)9-7-6(29-7)5(23-9)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h2,5-7,9H,3H2,1H3,(H,18,19)(H,20,21)(H,11,13,14)(H2,15,16,17)/t5-,6+,7+,9-/m1/s1
  • InChiKey: CRXKEUULXKZHHS-UTSKPXGSSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [hydroxy-[[(1S,2R,4R,5R)-4-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
  • [[(1S,2R,4R,5R)-4-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
  • [hydroxy-[[(1S,2R,4R,5R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
  • 1-(2',3'-epithio-2',3'-dideoxy-beta-D-lyxofuranosyl)thymine 5'-triphosphate
  • 1-(2',3'-epithio-2',3'-dideoxy-beta-D-ribofuranosyl)thymine 5'-triphosphate
  • (hydroxy-phosphonooxyphosphoryl) [(1S,2R,4R,5R)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl]methyl hydrogen phosphate
  • (hydroxy-phosphonooxy-phosphoryl) [(1S,2R,4R,5R)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl]methyl hydrogen phosphate
  • (hydroxy-phosphonooxyphosphoryl) [(1S,2R,4R,5R)-4-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl]methyl hydrogen phosphate
  • [(1S,2R,4R,5R)-4-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • 152158-10-6
  • 152158-09-3
  • 1-(2,3-Dideoxy-2,3-epithio-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-lyxofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
  • 2,4(1H,3H)-Pyrimidinedione, 1-(2,3-dideoxy-2,3-epithio-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-lyxofuranosyl)-5-methyl-
  • ltTTP
  • 2',3'-Dideoxy-2',3'-epithio-5-methyluridine 5'-(tetrahydrogen triphosphate)
  • Uridine 5'-(tetrahydrogen triphosphate), 2',3'-dideoxy-2',3'-epithio-5-methyl-
  • rtTTP

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
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0346 1
Giardia lamblia Pyruvate kinase 0.0033 0.0201 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.0028 0.0099
Schistosoma mansoni Smad4 0.0008 0.0028 0.0099
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0201 1
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0201 1
Echinococcus granulosus pyruvate kinase 0.0017 0.0089 0.0069
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0028 0.0007
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0021 0.0074
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0793 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0201 0.2512
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0028 0.0007
Echinococcus multilocularis pyruvate kinase 0.0017 0.0089 0.0069
Schistosoma mansoni smad1 5 8 and 0.0008 0.0028 0.0099
Brugia malayi MH1 domain containing protein 0.0008 0.0028 0.0316
Schistosoma mansoni cpg binding protein 0.003 0.018 0.0648
Brugia malayi MH2 domain containing protein 0.0117 0.0793 1
Schistosoma mansoni cpg binding protein 0.0028 0.0169 0.0608
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0028 0.0007
Echinococcus granulosus pyruvate kinase 0.0033 0.0201 0.0181
Schistosoma mansoni cpg binding protein 0.003 0.018 0.0648
Schistosoma mansoni pyruvate kinase 0.0033 0.0201 0.0722
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0033 0.0012
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0201 0.5
Echinococcus multilocularis Smad4 0.0008 0.0028 0.0007
Loa Loa (eye worm) hypothetical protein 0.0023 0.0132 0.1633
Brugia malayi MH2 domain containing protein 0.0008 0.0028 0.0316
Loa Loa (eye worm) Smad1 0.0008 0.0028 0.0316
Loa Loa (eye worm) hypothetical protein 0.0033 0.0201 0.2512
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0201 0.5
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0201 0.2512
Leishmania major pyruvate kinase 0.0033 0.0201 0.5
Echinococcus granulosus pyruvate kinase 0.0017 0.0089 0.0069
Echinococcus multilocularis thymidine phosphorylase 0.1433 1 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0201 0.5
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.0404 0.2802 0.2655
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0028 0.0099
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.001 0.0041 0.0487
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0033 0.0382
Schistosoma mansoni pyruvate kinase 0.0017 0.0089 0.0321
Leishmania major pyruvate kinase 0.0033 0.0201 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0391 0.1403
Schistosoma mansoni smad1 5 8 and 0.0008 0.0028 0.0099
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0132 0.1633
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0132 0.5
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0201 0.2512
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0201 1
Echinococcus multilocularis dnaJ subfamily B 0.0402 0.2784 0.2769
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0028 0.0007
Echinococcus multilocularis pyruvate kinase 0.0017 0.0089 0.0069
Brugia malayi CXXC zinc finger family protein 0.0028 0.0169 0.2108
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0201 0.2512
Echinococcus granulosus Smad4 0.0008 0.0028 0.0007
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0028 0.0316
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0169 0.2108
Loa Loa (eye worm) pyruvate kinase 0.0007 0.002 0.022
Brugia malayi MH1 domain containing protein 0.0008 0.0028 0.0316
Schistosoma mansoni pyruvate kinase 0.0033 0.0201 0.0722
Echinococcus multilocularis pyruvate kinase 0.0033 0.0201 0.0181
Echinococcus granulosus smad 0.0008 0.0028 0.0007
Chlamydia trachomatis pyruvate kinase 0.0033 0.0201 0.5
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0201 0.2512
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0793 1
Echinococcus multilocularis pyruvate kinase 0.0033 0.0201 0.0181
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0033 0.0012
Echinococcus multilocularis cpg binding protein 0.003 0.018 0.016
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0404 0.2802 0.2655
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0201 1
Brugia malayi pyruvate kinase 0.0007 0.002 0.022
Brugia malayi Smad1 0.0008 0.0028 0.0316
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.1433 1 1
Echinococcus granulosus pyruvate kinase 0.0033 0.0201 0.0181
Brugia malayi pyruvate kinase, muscle isozyme 0.0007 0.002 0.022
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0201 0.4354
Echinococcus granulosus cpg binding protein 0.003 0.018 0.016
Echinococcus multilocularis smad 0.0008 0.0028 0.0007
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0028 0.0316
Echinococcus granulosus pyruvate kinase 0.0017 0.0089 0.0069
Plasmodium falciparum pyruvate kinase 0.0033 0.0201 1
Schistosoma mansoni smad 0.0008 0.0028 0.0099
Brugia malayi MH2 domain containing protein 0.0008 0.0028 0.0316
Schistosoma mansoni hypothetical protein 0.0402 0.2784 1
Echinococcus multilocularis pyruvate kinase 0.0017 0.0089 0.0069
Mycobacterium ulcerans thymidine phosphorylase 0.1433 1 1
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0032 0.0372
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0404 0.2802 1
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0201 0.5
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0201 1
Echinococcus multilocularis pyruvate kinase 0.0026 0.0153 0.0132
Echinococcus granulosus dnaJ subfamily B 0.0402 0.2784 0.2769
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0201 1

Activities

No activities found for this compound.

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

No literature references available for this target.

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