Detailed information for compound 571469

Basic information

Technical information
  • TDR Targets ID: 571469
  • Name: [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-di hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy- phosphoryl]oxy-hydroxy-phosphoryl]oxy-N-benzy l-phosphonamidic acid
  • MW: 596.319 | Formula: C17H23N6O12P3
  • H donors: 7 H acceptors: 11 LogP: -3.99 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 4
  • SMILES: O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(NCc2ccccc2)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
  • InChi: 1S/C17H23N6O12P3/c18-15-12-16(20-8-19-15)23(9-21-12)17-14(25)13(24)11(33-17)7-32-37(28,29)35-38(30,31)34-36(26,27)22-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,24-25H,6-7H2,(H,28,29)(H,30,31)(H2,18,19,20)(H2,22,26,27)/t11-,13-,14-,17-/m1/s1
  • InChiKey: XNYHAYDDAXMWOW-LSCFUAHRSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-benzylphosphonamidic acid
  • [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-N-(phenylmethyl)phosphonamidic acid
  • [[[(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-N-benzyl-phosphonamidic acid
  • [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-benzylphosphonamidic acid
  • ATP gamma-benzylamide
  • [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-(phenylmethyl)phosphonamidic acid
  • [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-N-(phenylmethyl)phosphonamidic acid
  • [[[(2R,3S,4R,5R)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-(phenylmethyl)phosphonamidic acid
  • [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-N-(benzyl)phosphonamidic acid
  • 58026-10-1
  • gamma-Benzylamide ATP
  • Adenosine 5'-(trihydrogen diphosphate), monoanhydride with (phenylmethyl)phosphoramidic acid
  • Adenosine triphosphate gamma-benzylamide
  • Gba-ATP

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
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0047 0 0.5
Echinococcus multilocularis glutamate receptor 2 0.0076 0.1034 0.1272
Brugia malayi Glutamate receptor 1 precursor 0.0064 0.0602 1
Schistosoma mansoni glutamate receptor kainate 0.0064 0.0602 0.0602
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0076 0.1034 0.1272
Loa Loa (eye worm) glutamate receptor 1 0.0064 0.0602 1
Brugia malayi Rhodanese-like domain containing protein 0.0057 0.0347 0.5766
Schistosoma mansoni m-phase inducer phosphatase(cdc25) 0.0057 0.0347 0.0347
Entamoeba histolytica rodhanase-like domain containing protein 0.0057 0.0347 1
Echinococcus granulosus m phase inducer phosphatasecdc25 0.0057 0.0347 0.0427
Plasmodium falciparum glycogen synthase kinase 3 0.0047 0 0.5
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0047 0 0.5
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0057 0.0347 1
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0076 0.1034 0.1272
Onchocerca volvulus 0.0057 0.0347 1
Onchocerca volvulus 0.0057 0.0347 1
Onchocerca volvulus 0.0057 0.0347 1
Echinococcus multilocularis glutamate receptor 2 0.0052 0.019 0.0234
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0076 0.1034 0.1272
Trichomonas vaginalis cdc25b, putative 0.0057 0.0347 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0076 0.1034 0.1272
Loa Loa (eye worm) hypothetical protein 0.0057 0.0347 0.5766
Echinococcus granulosus glutamate NMDA receptor subunit 0.0064 0.0602 0.074
Trichomonas vaginalis cdc25c, putative 0.0057 0.0347 1
Schistosoma mansoni glutamate receptor kainate 0.0064 0.0602 0.0602
Schistosoma mansoni glutamate receptor NMDA 0.0064 0.0602 0.0602
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0057 0.0347 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0076 0.1034 0.1272
Echinococcus granulosus glutamate receptor 2 0.0052 0.019 0.0234
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0057 0.0347 1
Trypanosoma brucei protein kinase, putative 0.0047 0 0.5
Entamoeba histolytica rodhanase-like domain containing protein 0.0057 0.0347 1
Brugia malayi Rhodanese-like domain containing protein 0.0057 0.0347 0.5766
Trichomonas vaginalis m-phase inducer phosphatase, putative 0.0057 0.0347 1
Loa Loa (eye worm) glutamate receptor 2 0.0064 0.0602 1
Onchocerca volvulus 0.0057 0.0347 1
Entamoeba histolytica rodhanase-like domain containing protein 0.0057 0.0347 1
Echinococcus multilocularis glutamate receptor 2 0.0064 0.0602 0.074
Giardia lamblia Kinase, CMGC GSK 0.0047 0 0.5
Schistosoma mansoni glutamate receptor AMPA 0.0064 0.0602 0.0602
Loa Loa (eye worm) hypothetical protein 0.0052 0.0189 0.3134
Echinococcus multilocularis glutamate receptor NMDA 0.025 0.7286 0.8962
Echinococcus multilocularis m phase inducer phosphatase(cdc25) 0.0057 0.0347 0.0427
Loa Loa (eye worm) hypothetical protein 0.0052 0.0189 0.3134
Schistosoma mansoni glutamate receptor kainate 0.0064 0.0602 0.0602
Echinococcus granulosus nmda type glutamate receptor 0.0274 0.813 1
Giardia lamblia Kinase, CMGC GSK 0.0047 0 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0274 0.813 1
Brugia malayi Glutamate receptor 2 precursor 0.0064 0.0602 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0076 0.1034 0.1272
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0076 0.1034 0.1272
Loa Loa (eye worm) hypothetical protein 0.0057 0.0347 0.5766
Schistosoma mansoni glutamate receptor AMPA 0.0064 0.0602 0.0602
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0047 0 0.5
Plasmodium vivax glycogen synthase kinase 3, putative 0.0047 0 0.5
Trichomonas vaginalis mitotic inducer phosphatase CDC25, putative 0.0057 0.0347 1
Schistosoma mansoni ATP-binding cassette transporter 0.0064 0.0602 0.0602
Trichomonas vaginalis cdc25b, putative 0.0057 0.0347 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0076 0.1034 0.1272
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0064 0.0602 0.074
Echinococcus granulosus glutamate receptor 2 0.0076 0.1034 0.1272
Echinococcus granulosus nmda type glutamate receptor 0.0262 0.7718 0.9494
Echinococcus multilocularis nmda type glutamate receptor 0.0262 0.7718 0.9494
Echinococcus granulosus glutamate receptor NMDA 0.025 0.7286 0.8962

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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