Detailed information for compound 575191

Basic information

Technical information
  • TDR Targets ID: 575191
  • Name: [[(2R,3S,5R)-5-(2-amino-6-methoxy-purin-9-yl) -3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydro xy-phosphoryl] phosphono hydrogen phosphate
  • MW: 521.208 | Formula: C11H18N5O13P3
  • H donors: 6 H acceptors: 11 LogP: -4.46 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 4
  • SMILES: COc1nc(N)nc2c1ncn2[C@H]1C[C@@H]([C@H](O1)COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O
  • InChi: 1S/C11H18N5O13P3/c1-25-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(17)6(27-7)3-26-31(21,22)29-32(23,24)28-30(18,19)20/h4-7,17H,2-3H2,1H3,(H,21,22)(H,23,24)(H2,12,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1
  • InChiKey: DBLXDDWXGWLUAZ-RRKCRQDMSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [[(2R,3S,5R)-5-(2-amino-6-methoxy-9-purinyl)-3-hydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
  • [[(2R,3S,5R)-5-(2-azanyl-6-methoxy-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
  • [[(2R,3S,5R)-5-(2-amino-6-methoxypurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
  • O(6)-methyldeoxyguanosine triphosphate
  • [(2R,3S,5R)-5-(2-amino-6-methoxypurin-9-yl)-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2R,3S,5R)-5-(2-amino-6-methoxy-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2R,3S,5R)-5-(2-amino-6-methoxy-9-purinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2R,3S,5R)-5-(2-amino-6-methoxy-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • 63642-16-0
  • 2'-Deoxy-6-O-methoxyguanosine 5'-(tetrahydrogen triphosphate)
  • 9H-Purin-2-amine, 9-(2-deoxy-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-erythro-pentofuranosyl)-6-methoxy-
  • CCRIS 3387
  • Guanosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-6-O-methoxy-
  • O6-Methyldeoxyguanosine triphosphate

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
Schistosoma mansoni hypothetical protein 0.0034 0.1992 0.0221
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.3199 0.1694
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.3199 0.1902
Echinococcus multilocularis dna polymerase kappa 0.0038 0.3199 0.1694
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3199 0.3199
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0038 0.3199 0.1902
Echinococcus granulosus dna polymerase eta 0.0064 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.3199 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3199 0.3199
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3199 0.3199
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3199 0.3199
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.3199 0.3199
Mycobacterium ulcerans DNA polymerase IV 0.0038 0.3199 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0038 0.3199 0.1694
Echinococcus multilocularis dna polymerase eta 0.0064 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.3199 0.3199
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0032 0.1601 0.1601
Loa Loa (eye worm) hypothetical protein 0.0034 0.1992 0.0221
Entamoeba histolytica deoxycytidyl transferase, putative 0.0038 0.3199 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.6203 0.5364
Loa Loa (eye worm) hypothetical protein 0.0064 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.3199 0.3199
Leishmania major DNA polymerase eta, putative 0.0037 0.2893 0.1538
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0038 0.3199 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0038 0.3199 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3199 0.3199
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0038 0.3199 0.1694
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0038 0.3199 0.1694
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3199 0.3199
Leishmania major DNA polymerase eta, putative 0.0064 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0038 0.3199 0.1694
Trypanosoma cruzi DNA polymerase eta, putative 0.0064 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.3199 0.1902
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.6203 0.5364
Schistosoma mansoni DNA polymerase eta 0.0064 1 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0037 0.2893 1
Trichomonas vaginalis rotamase, putative 0.0033 0.1811 0.1315
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3199 0.3199
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.1992 0.0221
Mycobacterium tuberculosis Conserved hypothetical protein 0.0038 0.3199 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.1811 0.1315
Leishmania major DNA polymerase kappa, putative 0.0038 0.3199 0.1902
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3199 0.3199
Trypanosoma brucei DNA polymerase eta, putative 0.0064 1 1
Giardia lamblia DINP protein human, muc B family 0.0038 0.3199 0.5
Trypanosoma brucei unspecified product 0.0038 0.3199 0.3199
Loa Loa (eye worm) hypothetical protein 0.005 0.6203 0.5364
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.3199 0.1902
Trichomonas vaginalis DNA polymerase eta, putative 0.0038 0.3199 1
Echinococcus granulosus dna polymerase kappa 0.0038 0.3199 0.1694
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3199 0.3199
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.6203 0.5364
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.3199 0.1902
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.3199 0.3199
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0038 0.3199 0.1694
Trypanosoma cruzi DNA polymerase eta, putative 0.0037 0.2893 0.1538

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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