Detailed information for compound 539534

Basic information

Technical information
  • TDR Targets ID: 539534
  • Name: N-[9-[(2R,4S,5R)-5-(benzyloxymethyl)-4-hydrox y-tetrahydrofuran-2-yl]purin-6-yl]benzamide
  • MW: 445.471 | Formula: C24H23N5O4
  • H donors: 2 H acceptors: 5 LogP: 2.07 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@H]1C[C@@H](O[C@@H]1COCc1ccccc1)n1cnc2c1ncnc2NC(=O)c1ccccc1
  • InChi: 1S/C24H23N5O4/c30-18-11-20(33-19(18)13-32-12-16-7-3-1-4-8-16)29-15-27-21-22(25-14-26-23(21)29)28-24(31)17-9-5-2-6-10-17/h1-10,14-15,18-20,30H,11-13H2,(H,25,26,28,31)/t18-,19+,20+/m0/s1
  • InChiKey: ABXIKYZXEAGUBB-XUVXKRRUSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[9-[(2R,4S,5R)-5-(benzyloxymethyl)-4-hydroxy-2-tetrahydrofuranyl]-6-purinyl]benzamide
  • N-[9-[(2R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]purin-6-yl]benzamide
  • N-[9-[(2R,4S,5R)-5-(benzoxymethyl)-4-hydroxy-tetrahydrofuran-2-yl]purin-6-yl]benzamide
  • 6-N-benzoyl-5'-O-benzyl-2'-deoxyadenosine
  • N-[9-[(2R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)tetrahydrofuran-2-yl]purin-6-yl]benzamide
  • N-[9-[(2R,4S,5R)-4-hydroxy-5-(phenylmethoxymethyl)-2-tetrahydrofuranyl]-6-purinyl]benzamide
  • 130359-85-2
  • Adenosine, N-benzoyl-2'-deoxy-5'-O-(phenylmethyl)-
  • BB-Deoxyadenosine

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 tuberculosis Probable oxidoreductase 0.0116 0.7701 1
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.2299 0.5846
Brugia malayi glutathione reductase 0.0046 0.2299 0.5846
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.2299 0.0656
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.2299 0.5846
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.2184 0.5554
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.7701 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.2299 0.5846
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.2184 0.2184
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.2184 0.5554
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0067 0.3933 1
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0067 0.3933 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.2184 0.2184
Mycobacterium tuberculosis Probable reductase 0.0104 0.6806 0.8837
Toxoplasma gondii thioredoxin reductase 0.0046 0.2299 0.5846
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0067 0.3933 1
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0067 0.3933 1
Leishmania major hypothetical protein, conserved 0.0067 0.3933 1
Plasmodium vivax glutathione reductase, putative 0.0046 0.2299 0.5846
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.2184 0.5554
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0067 0.3933 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.6806 0.8837
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0 0.5
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0067 0.3933 1
Loa Loa (eye worm) hepatopoietin HPO2 0.0067 0.3933 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.2184 0.5554
Trypanosoma brucei trypanothione reductase 0.0046 0.2299 0.5846
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.7701 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.6806 0.8837
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.7701 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.6806 0.8837
Brugia malayi Thioredoxin reductase 0.0046 0.2299 0.5846
Toxoplasma gondii Erv1 / Alr family protein 0.0067 0.3933 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.2299 0.2985
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0 0.5
Treponema pallidum NADH oxidase 0.0016 0 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.2299 0.5846
Trichomonas vaginalis mercuric reductase, putative 0.0016 0 0.5
Brugia malayi Augmenter of liver regeneration 0.0067 0.3933 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.6806 0.8837
Loa Loa (eye worm) glutathione reductase 0.0046 0.2299 0.0656
Leishmania major trypanothione reductase 0.0046 0.2299 0.5846
Toxoplasma gondii Erv1 / Alr family protein 0.0067 0.3933 1
Trichomonas vaginalis glutathione reductase, putative 0.0016 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.2184 0.2184
Plasmodium falciparum thioredoxin reductase 0.0046 0.2299 0.5846
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.6806 0.8837
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0067 0.3933 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0 0.5
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0067 0.3933 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.2184 0.5554
Plasmodium falciparum glutathione reductase 0.0046 0.2299 0.5846
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0 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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