Detailed information for compound 311077

Basic information

Technical information
  • TDR Targets ID: 311077
  • Name: 8-bromo-9-methyl-6-phenylsulfanylpurine
  • MW: 321.196 | Formula: C12H9BrN4S
  • H donors: 0 H acceptors: 3 LogP: 3.48 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1c(Br)nc2c1ncnc2Sc1ccccc1
  • InChi: 1S/C12H9BrN4S/c1-17-10-9(16-12(17)13)11(15-7-14-10)18-8-5-3-2-4-6-8/h2-7H,1H3
  • InChiKey: OKEICVRHDYEKNI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-bromo-9-methyl-6-phenylsulfanyl-purine
  • 8-bromo-9-methyl-6-(phenylthio)purine

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 hypothetical protein 0.0041 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0041 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Entamoeba histolytica hypothetical protein 0.0041 1 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Entamoeba histolytica hypothetical protein 0.0041 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 1 1
Onchocerca volvulus 0.0012 0 0.5
Entamoeba histolytica hypothetical protein 0.0041 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0 0.5
Entamoeba histolytica hypothetical protein 0.0041 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 0 % Inhibition of human RAF proto-oncogene serine/threonine-protein kinase at 30 uM ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of human Mitogen activated protein kinase kinase 1 (MEK1) at 30 uM ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of human cAMP-dependent protein kinase (PKA) ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of human Rho-dependent protein kinase-II at 30 uM ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of rat Calcium/calmodulin-dependent protein kinase type II at 30 uM ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of human c-Jun N-terminal kinase-1 alpha1 at 30 uM ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of human c-Jun N-terminal kinase-2 alpha2 at 30 uM ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of rat c-Jun N-terminal kinase-3 at 30 uM ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of human Mitogen-activated protein kinase 1 at 30 uM ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of human Mitogen-activated protein kinase 2 at 30 uM ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of human RAF proto-oncogene serine/threonine-protein kinase at 30 uM ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of human Mitogen activated protein kinase kinase 1 (MEK1) at 30 uM ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of human cAMP-dependent protein kinase (PKA) ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of human Rho-dependent protein kinase-II at 30 uM ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of rat Calcium/calmodulin-dependent protein kinase type II at 30 uM ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of human c-Jun N-terminal kinase-1 alpha1 at 30 uM ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of human c-Jun N-terminal kinase-2 alpha2 at 30 uM ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of rat c-Jun N-terminal kinase-3 at 30 uM ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of human Mitogen-activated protein kinase 1 at 30 uM ChEMBL. 15689155
Inhibition (binding) = 0 % Inhibition of human Mitogen-activated protein kinase 2 at 30 uM ChEMBL. 15689155
Inhibition (binding) = 1 % Inhibition of human Protein kinase B alpha at 30 uM ChEMBL. 15689155
Inhibition (binding) = 1 % Inhibition of human Protein kinase B alpha at 30 uM ChEMBL. 15689155
Inhibition (binding) = 5 % Inhibition of human Protein kinase C alpha ChEMBL. 15689155
Inhibition (binding) = 5 % Inhibition of human Protein kinase C alpha ChEMBL. 15689155
Inhibition (binding) = 19 % Inhibition of human Glycogen synthase kinase-3 beta at 30 uM ChEMBL. 15689155
Inhibition (binding) = 19 % Inhibition of human Glycogen synthase kinase-3 beta at 30 uM ChEMBL. 15689155
Inhibition (binding) = 23 % Inhibition of human stress-activated protein kinase-2 alpha (p38 MAP-kinase) at 30 uM ChEMBL. 15689155
Inhibition (binding) = 23 % Inhibition of human lymphocyte protein tyrosine kinase Lck at 30 uM ChEMBL. 15689155
Inhibition (binding) = 23 % Inhibition of human stress-activated protein kinase-2 alpha (p38 MAP-kinase) at 30 uM ChEMBL. 15689155
Inhibition (binding) = 23 % Inhibition of human lymphocyte protein tyrosine kinase Lck at 30 uM ChEMBL. 15689155

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

1 literature reference was collected for this gene.

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