Detailed information for compound 1486467

Basic information

Technical information
  • TDR Targets ID: 1486467
  • Name: 6-butylsulfanyl-9-(oxan-2-yl)purine
  • MW: 292.4 | Formula: C14H20N4OS
  • H donors: 0 H acceptors: 3 LogP: 2.91 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCSc1ncnc2c1ncn2C1CCCCO1
  • InChi: 1S/C14H20N4OS/c1-2-3-8-20-14-12-13(15-9-16-14)18(10-17-12)11-6-4-5-7-19-11/h9-11H,2-8H2,1H3
  • InChiKey: WQBOXNLTSXJXII-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-butylsulfanyl-9-tetrahydropyran-2-yl-purine
  • 6-(butylthio)-9-(2-tetrahydropyranyl)purine
  • 6-(butylthio)-9-tetrahydropyran-2-yl-purine
  • 9H-Purine, 6-(butylthio)-9-(tetrahydro-2H-pyran-2-yl)-
  • NSC38305

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0041 0.5371 0.5371
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.5929 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.5929 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5371 0.5371
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.8794 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.8794 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.8794 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.8794 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.5929 0.6742
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.8794 1
Schistosoma mansoni hypothetical protein 0.0043 0.5929 0.6742
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.5929 0.6742
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.5929 0.6742
Brugia malayi hypothetical protein 0.0043 0.5929 0.5929
Entamoeba histolytica hypothetical protein 0.0043 0.5929 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.8794 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.8794 0.8794
Schistosoma mansoni hypothetical protein 0.0041 0.5371 0.6108
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.8794 0.8794
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.5929 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.8794 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 67.448 uM PubChem BioAssay. Counterscreen for agonists of the daf-12 abnormal Dauer Formation: Luminescence-based cell-based dose response screening assay to identify agonists of the Liver-X-Receptor (LXR). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.631 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.3078 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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