Detailed information for compound 560391

Basic information

Technical information
  • TDR Targets ID: 560391
  • Name: [[(2R,3S)-3-(2-amino-4-oxo-1H-pteridin-6-yl)- 2,3-dihydroxy-propoxy]-hydroxy-phosphoryl] ph osphono hydrogen phosphate
  • MW: 493.154 | Formula: C9H14N5O13P3
  • H donors: 8 H acceptors: 12 LogP: -6.76 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 3
  • SMILES: O[C@@H]([C@H](c1cnc2c(n1)c(=O)nc([nH]2)N)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O
  • InChi: 1S/C9H14N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h1,4,6,15-16H,2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,10,11,13,14,17)/t4-,6+/m1/s1
  • InChiKey: IYHSQHAHJGLHJH-XINAWCOVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [[(2R,3S)-3-(2-amino-4-oxo-1H-pteridin-6-yl)-2,3-dihydroxypropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate
  • [[(2R,3S)-3-(2-azanyl-4-oxo-1H-pteridin-6-yl)-2,3-dihydroxy-propoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate
  • [[(2R,3S)-3-(2-amino-4-keto-1H-pteridin-6-yl)-2,3-dihydroxy-propoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate
  • neopterin-3'-triphosphate
  • [(2R,3S)-3-(2-amino-4-oxo-1H-pteridin-6-yl)-2,3-dihydroxypropyl] (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2R,3S)-3-(2-amino-4-oxo-1H-pteridin-6-yl)-2,3-dihydroxy-propyl] (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2R,3S)-3-(2-amino-4-keto-1H-pteridin-6-yl)-2,3-dihydroxy-propyl] (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • 35300-26-6
  • D-3'-Ntp
  • Triphosphoric acid, P-(3-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-2,3-dihydroxypropyl) ester, (S-(R*,S*))-

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
Echinococcus multilocularis lamin dm0 0.0028 0.4349 0.4263
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.1892 0.5
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.1892 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.4349 0.4349
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.1892 0.5
Schistosoma mansoni lamin 0.0028 0.4349 0.303
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.1892 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 1 1
Echinococcus multilocularis lamin 0.0028 0.4349 0.4263
Toxoplasma gondii exonuclease III APE 0.0019 0.1892 0.5
Echinococcus granulosus lamin dm0 0.0028 0.4349 0.4263
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.1892 0.1393
Echinococcus multilocularis musashi 0.0028 0.4349 0.4263
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.1892 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.1892 0.5
Echinococcus granulosus intermediate filament protein 0.0028 0.4349 0.4263
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.1892 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.1892 0.177
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.1892 0.5
Schistosoma mansoni intermediate filament proteins 0.0028 0.4349 0.303
Loa Loa (eye worm) intermediate filament protein 0.0028 0.4349 0.4349
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.1892 0.1892
Loa Loa (eye worm) hypothetical protein 0.0013 0.0149 0.0149
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.1892 0.5
Onchocerca volvulus 0.0028 0.4349 0.5
Onchocerca volvulus 0.0028 0.4349 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.1892 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.4349 0.4001
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.1892 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.42 0.42
Brugia malayi intermediate filament protein 0.0028 0.4349 0.4001
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.1892 0.177
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.1892 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.4349 0.4349
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.1892 0.5
Schistosoma mansoni lamin 0.0028 0.4349 0.303
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 1 1
Echinococcus granulosus lamin 0.0028 0.4349 0.4263
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 1 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.058 0.058
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.1892 0.5

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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