Detailed information for compound 1809564

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 300.313 | Formula: C15H16N4O3
  • H donors: 2 H acceptors: 2 LogP: 2.45 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(Nc2ncc3c(n2)[nH]cc3)cc(c1OC)OC
  • InChi: 1S/C15H16N4O3/c1-20-11-6-10(7-12(21-2)13(11)22-3)18-15-17-8-9-4-5-16-14(9)19-15/h4-8H,1-3H3,(H2,16,17,18,19)
  • InChiKey: RYPWLLXUZIXFSN-UHFFFAOYSA-N  

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 ribosomal protein S6 kinase alpha 3 0.0104 0.3372 0.0909
Echinococcus granulosus nervana 2 0.0199 0.6544 0.9791
Toxoplasma gondii AGC kinase 0.0303 1 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0199 0.6544 0.9791
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.3372 0.0909
Loa Loa (eye worm) AGC/NDR protein kinase 0.0104 0.3372 0.0467
Echinococcus multilocularis calcium activated potassium channel 0.0096 0.3122 0.0209
Echinococcus granulosus serine/threonine protein kinase 0.0201 0.6619 1
Entamoeba histolytica protein kinase 2, putative 0.0201 0.6619 0.4899
Loa Loa (eye worm) AGC/PKN protein kinase 0.0104 0.3372 0.0467
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0201 0.6619 1
Brugia malayi protein kinase C II. 0.0104 0.3372 0.0467
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.3372 0.0909
Trichomonas vaginalis AGC family protein kinase 0.0303 1 1
Brugia malayi Protein kinase domain containing protein 0.0104 0.3372 0.0467
Loa Loa (eye worm) hypothetical protein 0.0104 0.3372 0.0467
Entamoeba histolytica PH domain containing protein kinase, putative 0.0201 0.6619 0.4899
Echinococcus multilocularis short transient receptor potential channel 6 0.0094 0.3056 0.0026
Echinococcus granulosus serine:threonine protein kinase N2 0.0104 0.3372 0.0909
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0201 0.6619 1
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.3372 0.0909
Trypanosoma brucei rac serine-threonine kinase, putative 0.0303 1 1
Trichomonas vaginalis AGC family protein kinase 0.0104 0.3372 0.0467
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.3372 0.0909
Echinococcus multilocularis serine threonine protein kinase 0.0104 0.3372 0.0909
Echinococcus multilocularis transient receptor potential cation channel 0.0094 0.3056 0.0026
Trichomonas vaginalis AGC family protein kinase 0.0104 0.3372 0.0467
Trichomonas vaginalis AGC family protein kinase 0.0303 1 1
Echinococcus granulosus calcium activated potassium channel 0.0096 0.3122 0.0209
Schistosoma mansoni transient receptor potential channel 0.0094 0.3047 0.0000043397
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0104 0.3372 0.0909
Echinococcus multilocularis transient receptor potential cation channel 0.0094 0.3047 0.0000043397
Entamoeba histolytica protein kinase, putative 0.0303 1 1
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0094 0.3047 0.5
Echinococcus granulosus Glutaredoxin protein 5 0.0199 0.6544 0.9791
Trichomonas vaginalis AGC family protein kinase 0.0104 0.3372 0.0467
Brugia malayi Protein kinase domain containing protein 0.0104 0.3372 0.0467
Echinococcus multilocularis nervana 2 0.0199 0.6544 0.9791
Echinococcus granulosus protein kinase C gamma type 0.0104 0.3372 0.0909
Echinococcus granulosus transient receptor potential cation channel 0.0094 0.3047 0.0000043397
Entamoeba histolytica protein kinase, putative 0.0303 1 1
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0201 0.6619 0.5
Loa Loa (eye worm) hypothetical protein 0.0094 0.3056 0.0013
Echinococcus multilocularis protein kinase c iota type 0.0104 0.3372 0.0909
Schistosoma mansoni serine/threonine kinase 0.0104 0.3372 0.0909
Echinococcus granulosus transient receptor potential cation channel 0.0094 0.3047 0.0000043397
Echinococcus granulosus protein kinase c epsilon type 0.0104 0.3372 0.0909
Trichomonas vaginalis AGC family protein kinase 0.0104 0.3372 0.0467
Echinococcus multilocularis rac serine:threonine kinase 0.0201 0.6619 1
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0102 0.3297 0.036
Schistosoma mansoni atypical protein kinase C 0.0104 0.3372 0.0909
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0104 0.3372 0.0909
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0201 0.6619 1
Onchocerca volvulus 0.0094 0.3047 0.5
Brugia malayi Protein kinase domain containing protein 0.0303 1 1
Echinococcus multilocularis transient receptor potential cation channel 0.0094 0.3056 0.0026
Echinococcus granulosus nervana 2 0.0199 0.6544 0.9791
Schistosoma mansoni serine/threonine-protein kinase 0.0201 0.6619 1
Echinococcus granulosus Protein kinase C brain isozyme 0.0104 0.3372 0.0909
Echinococcus multilocularis serine:threonine protein kinase N2 0.0104 0.3372 0.0909
Echinococcus granulosus transient receptor potential cation channel 0.0094 0.3056 0.0026
Leishmania major hypothetical protein, unknown function 0.0094 0.3047 0.5
Echinococcus multilocularis serine:threonine protein kinase 38 0.0104 0.3372 0.0909
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0199 0.6544 0.9791
Trichomonas vaginalis AGC family protein kinase 0.0303 1 1
Brugia malayi olfactory channel protein osm-9 0.0094 0.3056 0.0013
Schistosoma mansoni transient receptor potential channel 0.0094 0.3056 0.0026
Echinococcus multilocularis Glutaredoxin protein 5 0.0199 0.6544 0.9791
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.3372 0.0909
Echinococcus multilocularis serine:threonine protein kinase N2 0.0104 0.3372 0.0909
Trichomonas vaginalis AGC family protein kinase 0.0303 1 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0303 1 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.3047 0.0000022294
Echinococcus granulosus serine threonine protein kinase nrc 0.0201 0.6619 1
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0201 0.6619 0.5
Loa Loa (eye worm) AGC/AKT protein kinase 0.0303 1 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0104 0.3372 0.0467
Trichomonas vaginalis AGC family protein kinase 0.0303 1 1
Echinococcus granulosus protein kinase c iota type 0.0104 0.3372 0.0909
Entamoeba histolytica protein kinase, putative 0.0303 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.3372 0.0909
Echinococcus multilocularis nervana 2 0.0199 0.6544 0.9791
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0104 0.3372 0.0909
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0104 0.3372 0.0467
Brugia malayi Hr1 repeat family protein 0.0104 0.3372 0.0467
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0104 0.3372 0.0467
Schistosoma mansoni serine/threonine-protein kinase 0.0201 0.6619 1
Echinococcus multilocularis protein kinase c epsilon type 0.0104 0.3372 0.0909
Loa Loa (eye worm) hypothetical protein 0.0094 0.3047 0.0000022294
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0201 0.6619 1
Echinococcus granulosus short transient receptor potential channel 6 0.0094 0.3056 0.0026
Trichomonas vaginalis AGC family protein kinase 0.0303 1 1
Leishmania major hypothetical protein, conserved 0.0094 0.3047 0.5
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0104 0.3372 0.0909
Trichomonas vaginalis AGC family protein kinase 0.0303 1 1
Trypanosoma cruzi Protein kinase B 0.0201 0.6619 1
Echinococcus granulosus NDR protein kinase 0.0104 0.3372 0.0909
Entamoeba histolytica PH domain containing protein kinase, putative 0.0201 0.6619 0.4899
Schistosoma mansoni transient receptor potential channel 0.0094 0.3047 0.0000043397
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0094 0.3047 0.5
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0094 0.3047 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.3372 0.0909
Giardia lamblia Kinase, AGC PKA 0.0201 0.6619 1
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0104 0.3372 0.0909
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0104 0.3372 0.0467
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0104 0.3372 0.0909

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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