Detailed information for compound 1773439

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 340.38 | Formula: C17H20N6O2
  • H donors: 5 H acceptors: 3 LogP: -0.14 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@H](Cc1c[nH]c2c1cccc2)N)N[C@H](C(=O)N)Cc1cnc[nH]1
  • InChi: 1S/C17H20N6O2/c18-13(5-10-7-21-14-4-2-1-3-12(10)14)17(25)23-15(16(19)24)6-11-8-20-9-22-11/h1-4,7-9,13,15,21H,5-6,18H2,(H2,19,24)(H,20,22)(H,23,25)/t13-,15-/m0/s1
  • InChiKey: ZDFVSMGAQQMFFN-ZFWWWQNUSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0072 0.0109 0.0079
Echinococcus granulosus tyrosine protein kinase shark 0.0072 0.0109 0.0079
Echinococcus multilocularis tyrosine protein kinase shark 0.0072 0.0109 0.0079
Echinococcus granulosus tyrosine protein kinase Src42A 0.0072 0.0109 0.0079
Echinococcus multilocularis dual specificity mitogen activated protein 0.0183 0.0522 0.0493
Echinococcus granulosus dual specificity mitogen activated protein 0.2736 1 1
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0072 0.0109 0.0079
Trypanosoma brucei protein kinase, putative 0.0051 0.003 0.5
Schistosoma mansoni tyrosine kinase 0.0072 0.0109 0.0079
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0072 0.0109 0.0079
Echinococcus multilocularis tyrosine protein kinase Blk 0.0072 0.0109 0.0079
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0072 0.0109 0.0079
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0072 0.0109 0.0079
Echinococcus granulosus tyrosine protein kinase Srms 0.0072 0.0109 0.0079
Loa Loa (eye worm) STE/STE7/MEK4 protein kinase 0.0183 0.0522 0.0417
Echinococcus multilocularis c src tyrosine kinase 0.0072 0.0109 0.0079
Schistosoma mansoni tyrosine kinase 0.0072 0.0109 0.0079
Trypanosoma brucei STE/STE11 serine/threonine-protein kinase, putative 0.0051 0.003 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0051 0.003 0.5
Plasmodium falciparum protein kinase, putative 0.0051 0.003 0.5
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0072 0.0109 0.0079
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0072 0.0109 0.0079
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0072 0.0109 0.0079
Echinococcus granulosus tyrosine protein kinase Lyn 0.0083 0.0149 0.0119
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0072 0.0109 0.0079
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0051 0.003 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0072 0.0109 0.0079
Schistosoma mansoni tyrosine kinase 0.0072 0.0109 0.0079
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0072 0.0109 0.0079
Schistosoma mansoni tyrosine kinase 0.0072 0.0109 0.0079
Loa Loa (eye worm) STE/STE7/MEK7 protein kinase 0.2736 1 1
Echinococcus granulosus c src tyrosine kinase 0.0072 0.0109 0.0079
Echinococcus granulosus tyrosine protein kinase Fyn 0.0072 0.0109 0.0079
Entamoeba histolytica protein kinase domain containing protein 0.0051 0.003 0.2798
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0072 0.0109 0.0079
Leishmania major protein kinase, putative 0.0051 0.003 0.5
Schistosoma mansoni tyrosine kinase 0.0072 0.0109 0.0079
Echinococcus multilocularis tyrosine protein kinase Abl 0.0072 0.0109 0.0079
Echinococcus multilocularis tyrosine protein kinase Srms 0.0072 0.0109 0.0079
Echinococcus multilocularis dual specificity mitogen activated protein 0.2736 1 1
Loa Loa (eye worm) STE/STE7/MEK7 protein kinase 0.2736 1 1
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0051 0.003 0.5
Schistosoma mansoni protein kinase 0.2736 1 1
Echinococcus granulosus dual specificity mitogen activated protein 0.0183 0.0522 0.0493
Echinococcus granulosus tyrosine kinase 0.0072 0.0109 0.0079
Echinococcus granulosus tyrosine protein kinase Fyn 0.0072 0.0109 0.0079
Schistosoma mansoni kinase 0.0183 0.0522 0.0493
Echinococcus granulosus tyrosine protein kinase ABL1 0.0072 0.0109 0.0079
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0072 0.0109 0.0079
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0072 0.0109 0.0079
Brugia malayi Serine/threonine-protein kinase F42G10.2 0.0183 0.0522 0.0417
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0072 0.0109 0.0079
Echinococcus granulosus tyrosine protein kinase Blk 0.0072 0.0109 0.0079
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0072 0.0109 0.0079
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0072 0.0109 0.0079
Echinococcus multilocularis tyrosine kinase 0.0072 0.0109 0.0079
Echinococcus granulosus tyrosine protein kinase Fyn 0.0072 0.0109 0.0079
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0072 0.0109 0.0079
Schistosoma mansoni tyrosine kinase 0.0072 0.0109 0.0079
Echinococcus granulosus tyrosine protein kinase Src64B 0.0072 0.0109 0.0079
Echinococcus granulosus tyrosine kinase 0.0072 0.0109 0.0079
Onchocerca volvulus Kinase homolog 0.0183 0.0522 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0072 0.0109 0.0079
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0072 0.0109 1

Activities

No activities found for this compound.

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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