Detailed information for compound 1992360

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 386.471 | Formula: C18H22N6O2S
  • H donors: 2 H acceptors: 5 LogP: 1.44 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CS(=O)(=O)N1CCCCC(C1)Nc1ncccc1c1cnc2c(n1)cc[nH]2
  • InChi: 1S/C18H22N6O2S/c1-27(25,26)24-10-3-2-5-13(12-24)22-17-14(6-4-8-19-17)16-11-21-18-15(23-16)7-9-20-18/h4,6-9,11,13H,2-3,5,10,12H2,1H3,(H,19,22)(H,20,21)
  • InChiKey: XNDQNBFQNOZWQD-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 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
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.001 0.0061 0.0061
Echinococcus multilocularis tyrosine protein kinase Blk 0.001 0.0061 0.0061
Loa Loa (eye worm) TK/FER protein kinase 0.001 0.0061 0.0061
Loa Loa (eye worm) TK/FER protein kinase 0.001 0.0061 0.0061
Loa Loa (eye worm) TK/FER protein kinase 0.001 0.0061 0.0061
Brugia malayi hypothetical protein 0.001 0.0061 0.0061
Entamoeba histolytica protein kinase, putative 0.0008 0.0026 0.4204
Onchocerca volvulus 0.001 0.0061 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.001 0.0061 0.0061
Echinococcus granulosus tyrosine protein kinase Lyn 0.0012 0.0087 0.0087
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.001 0.0061 0.0061
Onchocerca volvulus 0.001 0.0061 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.001 0.0061 0.0061
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0061 0.0061
Loa Loa (eye worm) SRC-1 0.001 0.0061 0.0061
Schistosoma mansoni tyrosine kinase 0.001 0.0061 0.0061
Echinococcus multilocularis tyrosine protein kinase Srms 0.001 0.0061 0.0061
Loa Loa (eye worm) TK/FER protein kinase 0.001 0.0061 0.0061
Echinococcus granulosus tyrosine protein kinase Blk 0.001 0.0061 0.0061
Loa Loa (eye worm) TK/FER protein kinase 0.001 0.0061 0.0061
Echinococcus multilocularis c src tyrosine kinase 0.001 0.0061 0.0061
Echinococcus granulosus c src tyrosine kinase 0.001 0.0061 0.0061
Brugia malayi SH2 domain containing protein 0.001 0.0061 0.0061
Loa Loa (eye worm) TK/FER protein kinase 0.001 0.0061 0.0061
Echinococcus multilocularis tyrosine protein kinase ABL1 0.001 0.0061 0.0061
Echinococcus granulosus tyrosine protein kinase Fps85D 0.001 0.0061 0.0061
Echinococcus granulosus MAP kinase activated protein kinase 2 0.0699 1 1
Echinococcus granulosus tyrosine protein kinase shark 0.001 0.0061 0.0061
Echinococcus multilocularis tyrosine protein kinase Src42A 0.001 0.0061 0.0061
Brugia malayi Tyrosine-protein kinase abl-1 0.001 0.0061 0.0061
Echinococcus granulosus tyrosine protein kinase Src42A 0.001 0.0061 0.0061
Brugia malayi protein-tyrosine kinase 0.001 0.0061 0.0061
Loa Loa (eye worm) TK protein kinase 0.001 0.0061 0.0061
Schistosoma mansoni tyrosine kinase 0.001 0.0061 0.0061
Onchocerca volvulus 0.001 0.0061 1
Echinococcus granulosus tyrosine kinase 0.001 0.0061 0.0061
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.001 0.0061 0.0061
Echinococcus multilocularis tyrosine protein kinase Abl 0.001 0.0061 0.0061
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.001 0.0061 0.0061
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0061 0.0061
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0061 0.0061
Schistosoma mansoni tyrosine kinase 0.001 0.0061 0.0061
Echinococcus multilocularis tyrosine kinase 0.001 0.0061 0.0061
Brugia malayi Protein kinase domain containing protein 0.001 0.0061 0.0061
Brugia malayi Protein kinase domain containing protein 0.001 0.0061 0.0061
Brugia malayi SH2 domain containing protein 0.001 0.0061 0.0061
Loa Loa (eye worm) TK/ABL protein kinase 0.001 0.0061 0.0061
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.001 0.0061 0.0061
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0008 0.0026 0.4204
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0061 0.0061
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.0699 1 1
Echinococcus granulosus tyrosine protein kinase Src64B 0.001 0.0061 0.0061
Onchocerca volvulus 0.001 0.0061 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.001 0.0061 0.0061
Schistosoma mansoni serine/threonine protein kinase 0.0699 1 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0061 0.0061
Schistosoma mansoni tyrosine kinase 0.001 0.0061 0.0061
Brugia malayi SRC-1 0.001 0.0061 0.0061
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0061 0.0061
Brugia malayi Protein kinase domain containing protein 0.001 0.0061 0.0061
Echinococcus granulosus tyrosine protein kinase ABL1 0.001 0.0061 0.0061
Echinococcus granulosus tyrosine protein kinase Srms 0.001 0.0061 0.0061
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.0699 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.001 0.0061 0.0061
Schistosoma mansoni tyrosine kinase 0.001 0.0061 0.0061
Loa Loa (eye worm) TK/FER protein kinase 0.001 0.0061 0.0061
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.001 0.0061 0.0061
Loa Loa (eye worm) TK/FER protein kinase 0.001 0.0061 0.0061
Echinococcus multilocularis tyrosine protein kinase Fyn 0.001 0.0061 0.0061
Schistosoma mansoni tyrosine kinase 0.001 0.0061 0.0061
Loa Loa (eye worm) TK/FER protein kinase 0.001 0.0061 0.0061
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.001 0.0061 0.0061
Brugia malayi Protein kinase domain containing protein 0.001 0.0061 0.0061
Brugia malayi Protein kinase domain containing protein 0.001 0.0061 0.0061
Entamoeba histolytica SH2-protein kinase domain containing protein 0.001 0.0061 1
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.001 0.0061 0.0061
Loa Loa (eye worm) TK/FER protein kinase 0.001 0.0061 0.0061
Onchocerca volvulus 0.001 0.0061 1
Echinococcus multilocularis tyrosine protein kinase shark 0.001 0.0061 0.0061
Onchocerca volvulus 0.001 0.0061 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.001 0.0061 0.0061
Echinococcus granulosus tyrosine kinase 0.001 0.0061 0.0061

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.0209 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
IC50 (binding) = 0.09868 nM Inhibition Assay BINDINGDB. No reference
Ki (binding) = 0.050622 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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