Detailed information for compound 1992349

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 322.364 | Formula: C17H18N6O
  • H donors: 2 H acceptors: 4 LogP: 0.93 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)N1CC[C@H](C1)Nc1ncccc1c1cnc2c(n1)cc[nH]2
  • InChi: 1S/C17H18N6O/c1-11(24)23-8-5-12(10-23)21-16-13(3-2-6-18-16)15-9-20-17-14(22-15)4-7-19-17/h2-4,6-7,9,12H,5,8,10H2,1H3,(H,18,21)(H,19,20)/t12-/m1/s1
  • InChiKey: VMYNMIVIUVJIHY-GFCCVEGCSA-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 Janus kinase 2 Starlite/ChEMBL No references
Homo sapiens Janus kinase 3 Starlite/ChEMBL No references

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
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.128 1 1
Entamoeba histolytica SH2-protein kinase domain containing protein 0.001 0.0022 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.001 0.0022 0.0022
Echinococcus granulosus tyrosine protein kinase Srms 0.001 0.0022 0.0022
Leishmania major protein kinase, putative 0.0008 0 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0022 0.0022
Trypanosoma brucei protein kinase, putative 0.0008 0 0.5
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.128 1 1
Echinococcus granulosus tyrosine kinase 0.001 0.0022 0.0022
Echinococcus granulosus tyrosine protein kinase Blk 0.001 0.0022 0.0022
Echinococcus granulosus tyrosine protein kinase ABL1 0.001 0.0022 0.0022
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.0008 0 0.5
Echinococcus granulosus tyrosine kinase 0.001 0.0022 0.0022
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0022 0.0022
Schistosoma mansoni serine/threonine protein kinase 0.128 1 1
Plasmodium falciparum protein kinase, putative 0.0008 0 0.5
Echinococcus multilocularis tyrosine protein kinase Blk 0.001 0.0022 0.0022
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0022 0.0022
Onchocerca volvulus 0.001 0.0022 0.5
Schistosoma mansoni tyrosine kinase 0.001 0.0022 0.0022
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0022 0.0022
Echinococcus multilocularis tyrosine protein kinase Abl 0.001 0.0022 0.0022
Schistosoma mansoni tyrosine kinase 0.001 0.0022 0.0022
Onchocerca volvulus 0.001 0.0022 0.5
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.001 0.0022 0.0022
Echinococcus multilocularis tyrosine protein kinase Src64B 0.001 0.0022 0.0022
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.001 0.0022 0.0022
Echinococcus granulosus tyrosine protein kinase Src42A 0.001 0.0022 0.0022
Echinococcus granulosus tyrosine protein kinase shark 0.001 0.0022 0.0022
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0008 0 0.5
Schistosoma mansoni tyrosine kinase 0.001 0.0022 0.0022
Echinococcus multilocularis tyrosine protein kinase Fgr 0.001 0.0022 0.0022
Echinococcus multilocularis c src tyrosine kinase 0.001 0.0022 0.0022
Echinococcus granulosus tyrosine protein kinase Src64B 0.001 0.0022 0.0022
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0022 0.0022
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0022 0.0022
Echinococcus multilocularis tyrosine protein kinase Srms 0.001 0.0022 0.0022
Onchocerca volvulus 0.001 0.0022 0.5
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0009 0.0014 0.6489
Echinococcus granulosus tyrosine protein kinase Fps85D 0.001 0.0022 0.0022
Echinococcus granulosus c src tyrosine kinase 0.001 0.0022 0.0022
Echinococcus multilocularis tyrosine protein kinase shark 0.001 0.0022 0.0022
Schistosoma mansoni tyrosine kinase 0.001 0.0022 0.0022
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0008 0 0.5
Echinococcus multilocularis tyrosine kinase 0.001 0.0022 0.0022
Schistosoma mansoni tyrosine kinase 0.001 0.0022 0.0022
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.001 0.0022 0.0022
Echinococcus granulosus tyrosine protein kinase Lyn 0.0014 0.0048 0.0048
Onchocerca volvulus 0.001 0.0022 0.5
Echinococcus multilocularis tyrosine protein kinase Src42A 0.001 0.0022 0.0022
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0008 0 0.5
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.001 0.0022 0.0022
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.001 0.0022 0.0022
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0022 0.0022
Onchocerca volvulus 0.001 0.0022 0.5
Onchocerca volvulus 0.001 0.0022 0.5
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.001 0.0022 0.0022
Schistosoma mansoni tyrosine kinase 0.001 0.0022 0.0022
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.001 0.0022 0.0022
Echinococcus multilocularis tyrosine protein kinase ABL1 0.001 0.0022 0.0022
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.001 0.0022 0.0022
Echinococcus granulosus MAP kinase activated protein kinase 2 0.128 1 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.001 0.0022 0.0022
Entamoeba histolytica protein kinase, putative 0.0009 0.0014 0.6489

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.048945 nM Inhibition Assay BINDINGDB. No reference
IC50 (binding) = 0.0926 nM BindingDB_Patents: Inhibition Assay. The kinase activity of all three JAK kinases is measured using a radioactive, end-point assay and with trace amounts of 33P-ATP. ChEMBL. No reference
Ki (binding) = 0.025109 nM Inhibition 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.

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