Detailed information for compound 588562

Basic information

Technical information
  • TDR Targets ID: 588562
  • Name: [[(2S,4R)-5-(6-aminopurin-9-yl)-3-azido-4-hyd roxy-tetrahydrofuran-2-yl]methoxy-hydroxy-pho sphoryl] phosphono hydrogen phosphate
  • MW: 533.202 | Formula: C10H16N8O12P3
  • H donors: 6 H acceptors: 11 LogP: -4.19 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 4
  • SMILES: [NH-]=[N+]=NC1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)OC([C@@H]1O)n1cnc2c1ncnc2N
  • InChi: 1S/C10H15N8O12P3/c11-8-6-9(14-2-13-8)18(3-15-6)10-7(19)5(16-17-12)4(28-10)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2-5,7,10,19H,1H2,(H,23,24)(H,25,26)(H2,11,13,14)(H2,20,21,22)/t4-,5?,7-,10?/m1/s1
  • InChiKey: DANBERCPRJIPTD-HOGMLXFGSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [[(2S,4R)-5-(6-aminopurin-9-yl)-3-azido-4-hydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
  • [[(2S,4R)-5-(6-aminopurin-9-yl)-3-azido-4-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
  • [[(2S,4R)-5-adenin-9-yl-3-azido-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
  • [[(2S,4R)-5-(6-aminopurin-9-yl)-3-azido-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
  • 9-(3'-azido-3'-deoxy-beta-D-xylofuranosyl)adenine 5'-triphosphate
  • [(2S,4R)-5-(6-aminopurin-9-yl)-3-azido-4-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2S,4R)-5-(6-aminopurin-9-yl)-3-azido-4-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2S,4R)-5-(6-amino-9-purinyl)-3-azido-4-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2S,4R)-5-(6-aminopurin-9-yl)-3-azido-4-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • 92117-27-6
  • 3'-N3-Xatp
  • 3-Azido-x-datp
  • 9H-Purin-6-amine, 9-(3-azido-3-deoxy-5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-xylofuranosyl)-

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 tar DNA-binding protein 0.0139 0.3073 0.3063
Echinococcus granulosus tar DNA binding protein 0.0139 0.3073 0.3011
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0074 0.0927
Onchocerca volvulus 0.0039 0.0802 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0074 0.0927
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0802 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0802 0.2282
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0074 0.0927
Mycobacterium leprae Probable lipase LipE 0.0039 0.0802 0.5
Loa Loa (eye worm) beta-lactamase 0.0039 0.0802 0.2274
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0802 0.2274
Schistosoma mansoni tar DNA-binding protein 0.0139 0.3073 0.3063
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0074 0.0927
Echinococcus multilocularis geminin 0.0166 0.3675 0.3617
Schistosoma mansoni hypothetical protein 0.0445 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0074 0.0927
Mycobacterium tuberculosis Possible penicillin-binding protein 0.025 0.5586 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0074 0.0927
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0802 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.1005 0.2967
Echinococcus multilocularis dnaJ subfamily B 0.0445 1 1
Brugia malayi beta-lactamase family protein 0.0039 0.0802 0.2282
Echinococcus granulosus cpg binding protein 0.0033 0.0662 0.0578
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0074 0.0927
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1005 0.0924
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.1256 1
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0802 1
Onchocerca volvulus 0.0039 0.0802 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0074 0.0927
Echinococcus granulosus geminin 0.0166 0.3675 0.3617
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0074 0.0927
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1005 0.0992
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.1416 0.1403
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0802 0.5
Loa Loa (eye worm) RNA binding protein 0.0139 0.3073 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0802 0.0787
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0074 0.0927
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0802 0.0718
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0074 0.0927
Brugia malayi TAR-binding protein 0.0139 0.3073 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0802 0.2274
Echinococcus multilocularis tar DNA binding protein 0.0139 0.3073 0.3011
Loa Loa (eye worm) hypothetical protein 0.0039 0.0802 0.2274
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.1005 0.0924
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1005 0.0924
Loa Loa (eye worm) hypothetical protein 0.0039 0.0802 0.2274
Trichomonas vaginalis helicase, putative 0.0007 0.0074 0.0927
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0802 1
Echinococcus multilocularis cpg binding protein 0.0033 0.0662 0.0578
Schistosoma mansoni tar DNA-binding protein 0.0139 0.3073 0.3063
Brugia malayi beta-lactamase 0.0039 0.0802 0.2282
Loa Loa (eye worm) hypothetical protein 0.0039 0.0802 0.2274
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0802 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0802 0.0787
Schistosoma mansoni tar DNA-binding protein 0.0139 0.3073 0.3063
Mycobacterium ulcerans lipase LipD 0.0039 0.0802 0.5
Schistosoma mansoni cpg binding protein 0.0033 0.0662 0.0648
Brugia malayi beta-lactamase family protein 0.0039 0.0802 0.2282
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0802 0.5
Brugia malayi RNA binding protein 0.0139 0.3073 1
Leishmania major hypothetical protein, conserved 0.0039 0.0802 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0133 0.0044
Brugia malayi RNA recognition motif domain containing protein 0.0139 0.3073 1
Schistosoma mansoni hypothetical protein 0.0166 0.3675 0.3665
Schistosoma mansoni cpg binding protein 0.0031 0.0622 0.0608
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0622 0.1663
Schistosoma mansoni tar DNA-binding protein 0.0139 0.3073 0.3063
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0133 0.0044
Trichomonas vaginalis esterase, putative 0.0039 0.0802 1
Schistosoma mansoni cpg binding protein 0.0033 0.0662 0.0648
Brugia malayi CXXC zinc finger family protein 0.0031 0.0622 0.1671
Loa Loa (eye worm) hypothetical protein 0.0039 0.0802 0.2274
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0074 0.0927
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.1005 0.0924
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0802 0.0718
Trichomonas vaginalis penicillin-binding protein, putative 0.0039 0.0802 1
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0802 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.009 0.0074
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1005 0.0992
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0074 0.0927
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0139 0.3073 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0802 0.2274
Onchocerca volvulus 0.0039 0.0802 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0074 0.0927
Schistosoma mansoni hypothetical protein 0.0166 0.3675 0.3665
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0074 0.0927
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.1005 0.0992
Mycobacterium ulcerans hypothetical protein 0.0039 0.0802 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0074 0.0927
Loa Loa (eye worm) TAR-binding protein 0.0139 0.3073 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.1005 0.2974
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0074 0.0927
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0802 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.0802 0.5
Mycobacterium ulcerans beta-lactamase 0.0039 0.0802 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0039 0.0802 1

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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