Detailed information for compound 939436

Basic information

Technical information
  • TDR Targets ID: 939436
  • Name: [(2R,5R,6S)-5-(6-aminopurin-9-yl)-6-(hydroxym ethyl)-5,6-dihydro-2H-pyran-2-yl]phosphonic a cid
  • MW: 327.233 | Formula: C11H14N5O5P
  • H donors: 4 H acceptors: 7 LogP: -2.39 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@@H](C=C[C@H]1n1cnc2c1ncnc2N)P(=O)(O)O
  • InChi: 1S/C11H14N5O5P/c12-10-9-11(14-4-13-10)16(5-15-9)6-1-2-8(22(18,19)20)21-7(6)3-17/h1-2,4-8,17H,3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7-,8-/m1/s1
  • InChiKey: BNJXYJOZVCEFRX-BWZBUEFSSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(2R,5R,6S)-5-(6-amino-9-purinyl)-6-(hydroxymethyl)-5,6-dihydro-2H-pyran-2-yl]phosphonic acid
  • [(2R,5R,6S)-5-(6-aminopurin-9-yl)-6-methylol-5,6-dihydro-2H-pyran-2-yl]phosphonic acid
  • AIDS-189500
  • AIDS189500
  • [5-(6-Amino-purin-9-yl)-6-hydroxymethyl-5,6-dihydro-2H-pyran-2-yl]-phosphonic acid

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
Mycobacterium ulcerans DNA polymerase IV 0.0042 1 0.5
Trypanosoma brucei unspecified product 0.0035 0.7689 0.7519
Echinococcus multilocularis musashi 0.0028 0.5061 0.4974
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0042 1 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.5061 0.7783
Loa Loa (eye worm) hypothetical protein 0.0027 0.4888 0.7517
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.6503 0.6246
Brugia malayi polk-prov protein 0.0032 0.6503 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.2995 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0684 0.1052
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 1 1
Leishmania major DNA polymerase kappa, putative 0.0022 0.2995 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.1422 0.0792
Mycobacterium ulcerans DNA polymerase IV 0.0042 1 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0684 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.1422 0.0792
Onchocerca volvulus 0.0028 0.5061 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0015 0.0684 0.1052
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0042 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0017 0.1422 0.0792
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.2995 0.2481
Loa Loa (eye worm) hypothetical protein 0.0028 0.5061 0.7783
Echinococcus multilocularis lamin dm0 0.0028 0.5061 0.4974
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0015 0.0684 0.052
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.6503 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0032 0.6503 0.6246
Schistosoma mansoni intermediate filament proteins 0.0028 0.5061 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 1 1
Onchocerca volvulus 0.0028 0.5061 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 1 1
Echinococcus multilocularis dna polymerase kappa 0.0042 1 1
Echinococcus granulosus lamin dm0 0.0028 0.5061 0.4974
Schistosoma mansoni lamin 0.0028 0.5061 1
Echinococcus multilocularis lamin 0.0028 0.5061 0.4974
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.2995 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.5061 0.7783
Echinococcus multilocularis dna polymerase eta 0.0015 0.0684 0.052
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0015 0.0684 0.052
Loa Loa (eye worm) hypothetical protein 0.0013 0.0173 0.0266
Trypanosoma brucei DNA polymerase IV, putative 0.0042 1 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.5061 0.7526
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 1 1
Giardia lamblia DINP protein human, muc B family 0.0022 0.2995 0.5
Brugia malayi intermediate filament protein 0.0028 0.5061 0.7526
Trypanosoma brucei DNA polymerase IV, putative 0.0035 0.7689 0.7519
Schistosoma mansoni lamin 0.0028 0.5061 1
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0684 0.0017
Trypanosoma brucei DNA polymerase kappa, putative 0.0042 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0042 1 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 1 1
Echinococcus granulosus intermediate filament protein 0.0028 0.5061 0.4974
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0675 0.1037
Entamoeba histolytica deoxycytidyl transferase, putative 0.0015 0.0684 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 1 1
Echinococcus granulosus lamin 0.0028 0.5061 0.4974
Echinococcus granulosus dna polymerase eta 0.0015 0.0684 0.052

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 1000 uM Cytotoxic activity of the compound against NHDF cell growth ChEMBL. 8632439
IC50 (functional) > 300 uM Inhibitory activity of the compound against replication of HCMV in NHDF cells ChEMBL. 8632439
IC50 (functional) = 300 uM Inhibitory activity of the compound against cytopathic effect of HSV-2(E 194) in MRC-5 cells ChEMBL. 8632439

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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