Detailed information for compound 2136958

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 231.087 | Formula: C9H9N7O
  • H donors: 2 H acceptors: 6 LogP: 1 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 0
  • SMILES: On1nnc2c1ccc(c2)CCc1n[nH]nn1
  • InChi: InChI=1S/C9H9N7O/c17-16-8-3-1-6(5-7(8)10-15-16)2-4-9-11-13-14-12-9/h1,3,5,17H,2,4H2,(H,11,12,13,14)
  • InChiKey: ILSPBLDTHMAASO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens transcription factor 7-like 2 (T-cell specific, HMG-box) No references
Homo sapiens catenin (cadherin-associated protein), beta 1, 88kDa No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Catenin beta-1, putative Get druggable targets OG5_130404 All targets in OG5_130404
Schistosoma japonicum ko:K02105 catenin (cadherin-associated protein), beta 1, putative Get druggable targets OG5_130404 All targets in OG5_130404
Echinococcus granulosus T cell transcription factor 4 long C terminal Get druggable targets OG5_131559 All targets in OG5_131559
Echinococcus multilocularis T cell transcription factor 4 long C terminal Get druggable targets OG5_131559 All targets in OG5_131559
Echinococcus multilocularis beta catenin Get druggable targets OG5_130404 All targets in OG5_130404
Echinococcus granulosus pangolin Get druggable targets OG5_131559 All targets in OG5_131559
Brugia malayi HMG box family protein Get druggable targets OG5_131559 All targets in OG5_131559
Loa Loa (eye worm) HMG box family protein Get druggable targets OG5_131559 All targets in OG5_131559
Echinococcus granulosus beta catenin Get druggable targets OG5_130404 All targets in OG5_130404
Schistosoma japonicum ko:K04491 transcription factor 7-like 2, putative Get druggable targets OG5_131559 All targets in OG5_131559
Echinococcus granulosus hypothetical protein Get druggable targets OG5_131559 All targets in OG5_131559
Schistosoma japonicum expressed protein Get druggable targets OG5_130404 All targets in OG5_130404
Brugia malayi Armadillo/beta-catenin-like repeat family protein Get druggable targets OG5_130404 All targets in OG5_130404
Schistosoma mansoni beta-catenin Get druggable targets OG5_130404 All targets in OG5_130404
Onchocerca volvulus Cirhin homolog Get druggable targets OG5_130404 All targets in OG5_130404
Loa Loa (eye worm) HMP-2 protein Get druggable targets OG5_130404 All targets in OG5_130404
Echinococcus multilocularis protein pangolin J Get druggable targets OG5_131559 All targets in OG5_131559
Schistosoma mansoni pangolin Get druggable targets OG5_131559 All targets in OG5_131559
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
Onchocerca volvulus Cirhin homolog 0.0115 0 0.5
Echinococcus multilocularis beta catenin 0.0116 0.0031 0.5
Loa Loa (eye worm) HMP-2 protein 0.0116 0.0031 0.5
Schistosoma mansoni hypothetical protein 0.0281 0.6851 1
Brugia malayi Armadillo/beta-catenin-like repeat family protein 0.0116 0.0031 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 3140 nM Fluorescence Polarization (FP) Assay BINDINGDB. No reference
Ki (binding) = 3140 nM Fluorescence Polarization (FP) Assay BINDINGDB. No reference
Ki (binding) = 3830 nM Fluorescence Polarization (FP) Assay BINDINGDB. No reference
Ki (binding) = 3830 nM AlphaScreen Assay BINDINGDB. No reference
Ki (binding) = 7600 nM AlphaScreen Assay BINDINGDB. 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.