Detailed information for compound 571262

Basic information

Technical information
  • TDR Targets ID: 571262
  • Name: [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2 -[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]o xy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate
  • MW: 667.141 | Formula: C10H18N5O19P5
  • H donors: 9 H acceptors: 14 LogP: -7.79 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 4
  • SMILES: Nc1nc(=O)c2c([nH]1)n(cn2)[C@H]1C[C@@H]([C@H](O1)COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OP(=O)(OP(=O)(O)O)O
  • InChi: 1S/C10H18N5O19P5/c11-10-13-8-7(9(16)14-10)12-3-15(8)6-1-4(31-38(25,26)32-35(17,18)19)5(30-6)2-29-37(23,24)34-39(27,28)33-36(20,21)22/h3-6H,1-2H2,(H,23,24)(H,25,26)(H,27,28)(H2,17,18,19)(H2,20,21,22)(H3,11,13,14,16)/t4-,5+,6+/m0/s1
  • InChiKey: SXWYEEXTPHBVKY-KVQBGUIXSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]-3-tetrahydrofuranyl] phosphono hydrogen phosphate
  • [(2R,3S,5R)-5-(2-azanyl-6-oxo-3H-purin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
  • [(2R,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate
  • [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
  • deoxyguanosine-5'-tri-3'-diphosphate
  • [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
  • [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate
  • [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]-3-tetrahydrofuranyl] phosphono hydrogen phosphate
  • [(2R,3S,5R)-5-(2-amino-6-keto-3H-purin-9-yl)-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate
  • [(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]oxolan-3-yl] phosphono hydrogen phosphate
  • 57716-91-3
  • Guanosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-3'-(trihydrogen diphosphate)

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 arachidonate 5 lipoxygenase 0.0114 0.3528 0.5438
Trypanosoma brucei trypanothione reductase 0.0037 0.0554 1
Schistosoma mansoni lipoxygenase 0.0114 0.3528 0.5195
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0847 0.1411
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0178 0.6007 1
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0554 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0847 0.0506
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 0.5
Schistosoma mansoni ngng-dimethylarginine dimethylaminohydrolase 0.0178 0.6007 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.445 1
Brugia malayi Thioredoxin reductase 0.0037 0.0554 0.0922
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0847 0.0506
Toxoplasma gondii thioredoxin reductase 0.0037 0.0554 0.5
Echinococcus multilocularis ng dimethylarginine dimethylaminohydrolase 0.0178 0.6007 1
Brugia malayi Cytochrome P450 family protein 0.0051 0.1091 0.1817
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 0.5
Mycobacterium tuberculosis Probable reductase 0.0083 0.2353 0.4618
Plasmodium falciparum glutathione reductase 0.0037 0.0554 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0083 0.2353 0.4618
Schistosoma mansoni lipoxygenase 0.008 0.221 0.2641
Mycobacterium tuberculosis Probable oxidoreductase 0.0093 0.271 0.5535
Plasmodium falciparum thioredoxin reductase 0.0037 0.0554 0.5
Brugia malayi NG,NG-dimethylarginine dimethylaminohydrolase 1, putative 0.0178 0.6007 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0114 0.3528 0.5438
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0554 0.5
Echinococcus granulosus ng dimethylarginine dimethylaminohydrolase 0.0178 0.6007 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0093 0.271 0.5535
Leishmania major hypothetical protein, unknown function 0.0178 0.6007 1
Loa Loa (eye worm) glutathione reductase 0.0037 0.0554 0.0922
Onchocerca volvulus 0.0178 0.6007 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0847 0.0506
Brugia malayi glutathione reductase 0.0037 0.0554 0.0922
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0083 0.2353 0.4618
Schistosoma mansoni ngng-dimethylarginine dimethylaminohydrolase 0.0178 0.6007 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.1091 0.1817
Giardia lamblia Fructose-bisphosphate aldolase 0.0282 1 0.5
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.445 1
Leishmania major hypothetical protein, unknown function 0.0178 0.6007 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0847 0.0506
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0093 0.271 0.1705
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0093 0.271 0.5535
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0083 0.2353 0.4618
Treponema pallidum fructose-bisphosphate aldolase 0.0282 1 0.5
Leishmania major trypanothione reductase 0.0037 0.0554 0.0922
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0847 0.1411
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0282 1 0.5
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0554 0.0922
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0083 0.2353 0.4618
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.445 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0083 0.2353 0.4618
Plasmodium vivax glutathione reductase, putative 0.0037 0.0554 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 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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