Detailed information for compound 560045

Basic information

Technical information
  • TDR Targets ID: 560045
  • Name: [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphon ooxymethyl)tetrahydrofuran-3-yl] [(2R,3S,5R)- 5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahy drofuran-2-yl]methyl hydrogen phosphate
  • MW: 621.388 | Formula: C19H25N7O13P2
  • H donors: 6 H acceptors: 11 LogP: -4.56 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 4
  • SMILES: O=c1ccn(c(=O)[nH]1)[C@@H]1O[C@@H]([C@H](C1)O)COP(=O)(O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O)n1cnc2c1ncnc2N)O
  • InChi: 1S/C19H25N7O13P2/c20-17-16-18(22-7-21-17)26(8-23-16)15-4-10(12(38-15)6-35-40(30,31)32)39-41(33,34)36-5-11-9(27)3-14(37-11)25-2-1-13(28)24-19(25)29/h1-2,7-12,14-15,27H,3-6H2,(H,33,34)(H2,20,21,22)(H,24,28,29)(H2,30,31,32)/t9-,10-,11+,12+,14+,15+/m0/s1
  • InChiKey: DNCUBWCOSZRGTK-IDMWBNCISA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)-3-tetrahydrofuranyl] [(2R,3S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [(2R,3S,5R)-5-adenin-9-yl-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2R,3S,5R)-5-(2,4-diketopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
  • poly(d(A-U))
  • [(2R,3S,5R)-5-(6-amino-9-purinyl)-2-(phosphonooxymethyl)-3-tetrahydrofuranyl] [(2R,3S,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2R,3S,5R)-5-(2,4-diketopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • 34607-75-5
  • 5'-Adenylic acid, 2'-deoxyuridylyl-(5'-3')-2'-deoxy-, homopolymer
  • Poly(dA-dU).poly(dA-dU)

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
Trichomonas vaginalis DNA helicase recq1, putative 0.005 0.2476 0.3849
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.2064 0.2714
Trypanosoma brucei unspecified product 0.0044 0.2025 0.3041
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.2025 0.3041
Trichomonas vaginalis chromobox protein, putative 0.008 0.4709 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.7538 1
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0118 0.7538 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.2025 0.3041
Trichomonas vaginalis DNA helicase recq, putative 0.0037 0.1511 0.1188
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.2025 0.1784
Brugia malayi Cytochrome P450 family protein 0.006 0.321 0.5655
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0076 0.4393 0.4991
Brugia malayi Heterochromatin protein 1 0.008 0.4709 1
Echinococcus granulosus dna polymerase kappa 0.0044 0.2025 0.122
Loa Loa (eye worm) hypothetical protein 0.0045 0.2064 0.0921
Echinococcus granulosus bloom syndrome protein 0.005 0.2476 0.1939
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0118 0.7538 1
Schistosoma mansoni chromobox protein 0.008 0.4709 0.6247
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0076 0.4393 0.5828
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0044 0.2025 0.122
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.003 0.0916 0.1215
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.2025 0.3041
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.2025 0.3041
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0076 0.4393 0.3585
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0044 0.2025 0.0876
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0078 0.459 0.9674
Toxoplasma gondii melibiase subfamily protein 0.0118 0.7538 1
Echinococcus granulosus chromobox protein 1 0.008 0.4709 0.5494
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0044 0.2025 0.2686
Echinococcus multilocularis chromobox protein 1 0.008 0.4709 0.5494
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.2025 0.3041
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0118 0.7538 1
Echinococcus multilocularis chromobox protein 1 0.008 0.4709 0.5494
Echinococcus multilocularis dna polymerase kappa 0.0044 0.2025 0.122
Schistosoma mansoni DNA helicase recq5 0.0034 0.1259 0.167
Leishmania major DNA polymerase eta, putative 0.0074 0.4225 0.9418
Loa Loa (eye worm) hypothetical protein 0.0035 0.1336 0.0088
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0044 0.2025 0.2605
Mycobacterium ulcerans DNA polymerase IV 0.0044 0.2025 0.5
Schistosoma mansoni DNA polymerase eta 0.0074 0.4225 0.5605
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0076 0.4393 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0043 0.1926 0.2555
Trichomonas vaginalis chromobox protein, putative 0.0048 0.232 0.3419
Schistosoma mansoni chromobox protein 0.008 0.4709 0.6247
Giardia lamblia DINP protein human, muc B family 0.0044 0.2025 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0076 0.4393 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0044 0.2025 0.2686
Loa Loa (eye worm) cytochrome P450 family protein 0.006 0.321 0.2232
Trichomonas vaginalis chromobox protein, putative 0.008 0.4709 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.2025 0.1784
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.2025 0.1784
Brugia malayi chromobox protein homolog 3 0.0045 0.2064 0.2335
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.2064 0.7399
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0048 0.232 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.7538 1
Echinococcus granulosus transcription factor Dp 1 0.0044 0.1991 0.1167
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0044 0.2025 0.1784
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0034 0.1259 0.167
Schistosoma mansoni DNA helicase recq1 0.0034 0.1259 0.167
Loa Loa (eye worm) heterochromatin protein 1 0.008 0.4709 0.3947
Leishmania major DNA polymerase kappa, putative 0.0044 0.2025 0.1784
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0037 0.1511 0.153
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0076 0.4393 1
Trypanosoma brucei DNA polymerase IV, putative 0.0044 0.2025 0.3041
Echinococcus multilocularis dna polymerase eta 0.0074 0.4225 0.4724
Trypanosoma brucei DNA polymerase IV, putative 0.0044 0.2025 0.3041
Brugia malayi Bloom's syndrome protein homolog 0.005 0.2476 0.3529
Echinococcus granulosus dna polymerase eta 0.0074 0.4225 0.4724
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.2025 0.3041
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0047 0.2225 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0076 0.4393 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0044 0.2025 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0074 0.4225 0.9507
Trichomonas vaginalis DNA helicase recq, putative 0.005 0.2476 0.3849
Mycobacterium ulcerans DNA polymerase IV 0.0044 0.2025 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.2025 0.3041
Loa Loa (eye worm) hypothetical protein 0.0074 0.4225 0.3393
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0076 0.4393 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.003 0.0966 0.5
Loa Loa (eye worm) RecQ helicase 0.005 0.2476 0.1393
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.2025 0.222
Trichomonas vaginalis DNA polymerase eta, putative 0.0044 0.2025 0.2605
Trichomonas vaginalis chromobox protein, putative 0.0048 0.232 0.3419
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.2025 0.3041
Treponema pallidum ATP-dependent DNA helicase 0.0017 0 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0044 0.2025 0.461
Brugia malayi Melibiase family protein 0.0078 0.459 0.9657
Echinococcus multilocularis transcription factor Dp 1 0.0044 0.1991 0.1167
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0076 0.4393 0.4991
Trypanosoma cruzi DNA polymerase eta, putative 0.0074 0.4225 0.9418
Leishmania major DNA polymerase eta, putative 0.0043 0.1926 0.1441
Trypanosoma cruzi DNA polymerase kappa, putative 0.0044 0.2025 0.1784
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0044 0.2025 0.122
Schistosoma mansoni blooms syndrome DNA helicase 0.0033 0.1168 0.1549
Trypanosoma brucei DNA polymerase IV, putative 0.0044 0.2025 0.3041
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.2025 0.3041
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.7538 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.459 0.3811
Brugia malayi ImpB/MucB/SamB family protein 0.0074 0.4225 0.8598
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0078 0.459 0.609
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0078 0.459 0.609
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0034 0.1259 0.167
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.2064 0.2714
Trypanosoma brucei DNA polymerase kappa, putative 0.0044 0.2025 0.3041
Trypanosoma cruzi DNA polymerase eta, putative 0.0043 0.1926 0.1441
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0076 0.4393 0.9084
Mycobacterium tuberculosis Conserved hypothetical protein 0.0044 0.2025 0.5
Echinococcus granulosus chromobox protein 1 0.008 0.4709 0.5494
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0118 0.7538 1
Echinococcus multilocularis bloom syndrome protein 0.005 0.2476 0.1939
Entamoeba histolytica recQ family helicase, putative 0.0037 0.1511 0.3439

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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