Detailed information for compound 17386

Basic information

Technical information
  • TDR Targets ID: 17386
  • Name: [5-(6-bromopurin-9-yl)oxolan-2-yl]methanol
  • MW: 299.124 | Formula: C10H11BrN4O2
  • H donors: 1 H acceptors: 4 LogP: 0.87 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1CCC(O1)n1cnc2c1ncnc2Br
  • InChi: 1S/C10H11BrN4O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(3-16)17-7/h4-7,16H,1-3H2
  • InChiKey: PDKANGATJDONQC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [5-(6-bromopurin-9-yl)tetrahydrofuran-2-yl]methanol
  • [5-(6-bromo-9-purinyl)-2-tetrahydrofuranyl]methanol

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 granulosus nuclear receptor nhr 48 0.0029 0.097 0.097
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.3619 0.358
Brugia malayi Steroid receptor seven-up type 2 0.0061 0.3573 0.3573
Loa Loa (eye worm) nuclear receptor NHR-67 0.0029 0.097 0.097
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0061 0.3573 0.3573
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0061 0.3573 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.3619 0.3619
Echinococcus granulosus insulin degrading enzyme 0.0029 0.0984 0.0984
Brugia malayi hypothetical protein 0.0032 0.1249 0.1249
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0032 0.1249 0.0309
Schistosoma mansoni nardilysin (M16 family) 0.0029 0.0984 0.0016
Onchocerca volvulus 0.0029 0.097 0.2716
Plasmodium vivax hypothetical protein, conserved 0.0017 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.1249 0.1249
Loa Loa (eye worm) hypothetical protein 0.0061 0.3573 0.3573
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0061 0.3573 0.3573
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0061 0.3573 0.3573
Loa Loa (eye worm) hypothetical protein 0.0029 0.097 0.097
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0029 0.097 0.2716
Onchocerca volvulus 0.0029 0.097 0.2716
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3619 0.3619
Toxoplasma gondii peptidase M16 inactive domain-containing protein 0.0018 0.0061 0.0061
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.3619 0.3619
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0029 0.097 0.0915
Toxoplasma gondii sporozoite developmental protein 0.0029 0.0984 0.0984
Loa Loa (eye worm) hypothetical protein 0.0029 0.097 0.097
Schistosoma mansoni thyroid hormone receptor 0.0061 0.3573 0.2882
Loa Loa (eye worm) hypothetical protein 0.0032 0.1249 0.1249
Schistosoma mansoni nuclear hormone receptor 0.0061 0.3573 0.2882
Loa Loa (eye worm) hypothetical protein 0.0032 0.1249 0.1249
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0029 0.097 0.2716
Loa Loa (eye worm) hypothetical protein 0.0029 0.097 0.097
Loa Loa (eye worm) hypothetical protein 0.0032 0.1249 0.1249
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0061 0.3573 0.2882
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0061 0.3573 0.3533
Schistosoma mansoni nardilysin (M16 family) 0.0029 0.0984 0.0016
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.3619 0.3619
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3619 0.3619
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0032 0.1249 0.1195
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.014 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0032 0.1249 0.1249
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.3619 0.3619
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.014 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0061 0.3573 0.3533
Brugia malayi conserved hypotetical protein 0.0029 0.097 0.097
Plasmodium falciparum eukaryotic translation initiation factor 4E, putative 0.0017 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0061 0.3573 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.3619 0.3619
Plasmodium falciparum eukaryotic translation initiation factor 4E 0.0017 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.3619 0.2934
Brugia malayi tailless protein 0.0029 0.097 0.097
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0061 0.3573 0.3573
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0061 0.3573 0.3573
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.014 1 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.3573 0.3573
Brugia malayi photoreceptor-specific nuclear receptor 0.0061 0.3573 0.3573
Toxoplasma gondii insulysin, putative 0.0028 0.087 0.087
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0029 0.097 0.0915
Loa Loa (eye worm) hypothetical protein 0.0029 0.097 0.097
Brugia malayi nuclear hormone receptor family member nhr-6 0.0029 0.097 0.097
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.014 1 1
Brugia malayi nuclear receptor NHR-67 0.0029 0.097 0.097
Echinococcus multilocularis thyroid hormone receptor alpha 0.0061 0.3573 0.3533
Loa Loa (eye worm) hypothetical protein 0.0032 0.1249 0.1249
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0061 0.3573 0.3573
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.3619 0.3619
Brugia malayi nuclear hormone receptor family member odr-7 0.0029 0.097 0.097
Trypanosoma brucei peptidase, putative 0.0029 0.0984 0.0984
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0029 0.097 0.097
Echinococcus granulosus Nuclear hormone receptor HR96 0.0029 0.097 0.097
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0061 0.3573 0.3573
Brugia malayi steroid hormone receptor 0.0061 0.3573 0.3573
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3619 0.3619
Trypanosoma brucei protein kinase, putative 0.0062 0.3619 0.3619
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.014 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.3619 0.3619
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0061 0.3573 0.2882
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.014 1 1
Brugia malayi nuclear receptor RXR 0.0029 0.097 0.097
Plasmodium vivax translation initiation factor 4E, putative 0.0017 0 0.5
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0029 0.097 0.0915
Loa Loa (eye worm) DR-78 0.0029 0.097 0.097
Brugia malayi hypothetical protein 0.0032 0.1249 0.1249
Loa Loa (eye worm) insulin-degrading enzyme 0.0029 0.0984 0.0984
Echinococcus multilocularis nuclear receptor nhr 48 0.0029 0.097 0.0915
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.3619 0.3619
Loa Loa (eye worm) hypothetical protein 0.0061 0.3573 0.3573
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0061 0.3573 0.3533
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0061 0.3573 0.3573
Loa Loa (eye worm) hypothetical protein 0.0061 0.3573 0.3573
Echinococcus multilocularis insulin degrading enzyme 0.0029 0.0984 0.0929
Leishmania major eukaryotic translation initiation factor-like protein 0.014 1 1
Brugia malayi insulin-degrading enzyme 0.0029 0.0984 0.0984
Loa Loa (eye worm) hypothetical protein 0.0029 0.097 0.097
Loa Loa (eye worm) hypothetical protein 0.0029 0.097 0.097
Trypanosoma cruzi peptidase, putative 0.0029 0.0984 0.0984
Schistosoma mansoni retinoic acid receptor RXR 0.0061 0.3573 0.2882
Echinococcus granulosus nardilysin 0.0029 0.0984 0.0984
Echinococcus granulosus ecdysone induced protein 78C 0.0061 0.3573 0.3573
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0029 0.097 0.097
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.014 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.097 0.097
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0061 0.3573 0.3573
Toxoplasma gondii rhoptry metalloprotease toxolysin TLN1 0.0029 0.0984 0.0984
Chlamydia trachomatis insulinase family protease III 0.0029 0.0984 0.5
Brugia malayi ecdysone receptor 0.0029 0.097 0.097
Echinococcus multilocularis ecdysone induced protein 78C 0.0061 0.3573 0.3533
Onchocerca volvulus Bile acid receptor homolog 0.0061 0.3573 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.3573 0.3573
Schistosoma mansoni coup transcription factor 0.0061 0.3573 0.2882
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0061 0.3573 0.3573
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0061 0.3573 0.3573
Loa Loa (eye worm) hypothetical protein 0.0061 0.3573 0.3573
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0061 0.3573 0.2882
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0061 0.3573 0.3573
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0061 0.3573 0.3533
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0061 0.3573 0.3573
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0061 0.3573 0.3573
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.014 1 1
Loa Loa (eye worm) translation initiation factor 4E 0.014 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0061 0.3573 0.3533
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0061 0.3573 0.2882
Brugia malayi hypothetical protein 0.0029 0.097 0.097
Brugia malayi Nuclear hormone receptor E75 0.0029 0.097 0.097
Brugia malayi nuclear receptor RXR 0.0032 0.1249 0.1249
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.3619 0.3619
Schistosoma mansoni steroid hormone receptor ad4bp 0.0061 0.3573 0.2882
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.014 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.097 0.097
Echinococcus granulosus 3'partial|nardilysin 0.0029 0.0984 0.0984
Loa Loa (eye worm) hypothetical protein 0.0029 0.097 0.097
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0061 0.3573 0.3573
Brugia malayi Nuclear hormone receptor-like 1 0.0061 0.3573 0.3573
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.097 0.0915
Loa Loa (eye worm) hypothetical protein 0.0029 0.097 0.097
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0061 0.3573 0.3573
Echinococcus granulosus Nuclear hormone receptor HR96 0.0029 0.097 0.097
Brugia malayi Nuclear hormone receptor-like 1 0.0032 0.1249 0.1249
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0061 0.3573 0.3573
Schistosoma mansoni insulysin unit 3 (M16 family) 0.0029 0.0984 0.0016
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0061 0.3573 0.3573
Trypanosoma cruzi peptidase, putative 0.0029 0.0984 0.0984
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0032 0.1249 0.1249
Brugia malayi MAP kinase sur-1 0.0062 0.3619 0.3619
Onchocerca volvulus 0.0061 0.3573 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0061 0.3573 0.3573
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0061 0.3573 0.2882
Echinococcus multilocularis nardilysin 0.0029 0.0984 0.0929
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0029 0.097 0.0915
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0061 0.3573 0.3573
Echinococcus granulosus thyroid hormone receptor alpha 0.0029 0.097 0.097
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0061 0.3573 0.3573
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0061 0.3573 0.3573
Brugia malayi nuclear receptor NHR-88 0.0061 0.3573 0.3573
Brugia malayi nuclear hormone receptor 0.0029 0.097 0.097
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.3619 0.3619
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.014 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0061 0.3573 0.3573
Leishmania major phosphoglycan beta 1,3 galactosyltransferase 5 0.0029 0.0984 0.0984
Brugia malayi ecdysteroid receptor 0.0061 0.3573 0.3573
Schistosoma mansoni RAR-like nuclear receptor 0.0061 0.3573 0.2882
Loa Loa (eye worm) nuclear hormone receptor 0.0029 0.097 0.097
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.014 1 1
Loa Loa (eye worm) steroid hormone receptor 0.0061 0.3573 0.3573
Loa Loa (eye worm) hypothetical protein 0.0029 0.097 0.097
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.014 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0061 0.3573 0.3573
Loa Loa (eye worm) hypothetical protein 0.0029 0.097 0.097
Schistosoma mansoni insulysin unit 3 (M16 family) 0.0029 0.0984 0.0016
Echinococcus multilocularis nardilysin 0.0029 0.0984 0.0929
Schistosoma mansoni thyroid hormone receptor 0.0061 0.3573 0.2882
Loa Loa (eye worm) hypothetical protein 0.0029 0.097 0.097
Echinococcus granulosus FTZ F1 alpha 0.0061 0.3573 0.3573
Brugia malayi nuclear hormone receptor 0.0061 0.3573 0.3573
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0061 0.3573 0.3573
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.014 1 1
Brugia malayi nuclear receptor NHR-88 0.0029 0.097 0.097
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.3619 0.3619
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.3619 0.358
Brugia malayi Nuclear hormone receptor E75 0.0029 0.097 0.097
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0032 0.1249 0.0309
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0061 0.3573 0.3573
Brugia malayi orphan nuclear receptor NR2E1 0.0029 0.097 0.097
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0061 0.3573 0.2882
Brugia malayi hypothetical protein 0.0029 0.097 0.097
Leishmania major eukaryotic translation initiation factor-like 0.014 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0029 0.097 0.097
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0061 0.3573 0.3533
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.3619 1
Echinococcus multilocularis FTZ F1 alpha 0.0061 0.3573 0.3533
Loa Loa (eye worm) hypothetical protein 0.0032 0.1249 0.1249
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0061 0.3573 0.3573
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.014 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.097 0.097
Loa Loa (eye worm) hypothetical protein 0.0061 0.3573 0.3573
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.3619 0.3619
Loa Loa (eye worm) hypothetical protein 0.0061 0.3573 0.3573

Activities

Activity type Activity value Assay description Source Reference
Log (functional) = 1.4 % Compound was tested for % Protection of ATH8 cells from HIV infection by 2 pM concentration of nucleoside ChEMBL. No reference
logP = 0.35 Dissociation constant ChEMBL. No reference

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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