Detailed information for compound 2074050

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 203.28 | Formula: C13H17NO
  • H donors: 0 H acceptors: 1 LogP: 2.1 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CC1(C)Cc2c(C1=O)cccc2)C
  • InChi: 1S/C13H17NO/c1-13(9-14(2)3)8-10-6-4-5-7-11(10)12(13)15/h4-7H,8-9H2,1-3H3
  • InChiKey: DSQRVIQOBPWZFK-UHFFFAOYSA-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
Trichomonas vaginalis AGC family protein kinase 0.4568 1 1
Echinococcus multilocularis nervana 2 0.2921 0.6266 0.946
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.1523 0.3096 0.4647
Echinococcus granulosus nervana 2 0.2921 0.6266 0.946
Brugia malayi Hr1 repeat family protein 0.1523 0.3096 0.2965
Echinococcus granulosus serine threonine protein kinase nrc 0.2954 0.6341 0.9573
Toxoplasma gondii AGC kinase 0.4444 0.9719 1
Trichomonas vaginalis AGC family protein kinase 0.4568 1 1
Loa Loa (eye worm) hypothetical protein 0.0239 0.0186 0.0151
Echinococcus granulosus microtubule associated protein 2 0.0743 0.1329 0.1963
Echinococcus multilocularis integrin beta 2 0.1221 0.2412 0.3607
Loa Loa (eye worm) TK/ROR protein kinase 0.0239 0.0186 0.0151
Brugia malayi hypothetical protein 0.025 0.0212 0.0026
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.1523 0.3096 0.4647
Echinococcus granulosus nervana 2 0.2921 0.6266 0.946
Loa Loa (eye worm) integrin alpha pat-2 0.124 0.2456 0.2429
Echinococcus granulosus integrin beta 2 0.1221 0.2412 0.3607
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0239 0.0186 0.0294
Trichomonas vaginalis AGC family protein kinase 0.1523 0.3096 0.3096
Loa Loa (eye worm) AGC/NDR protein kinase 0.1523 0.3096 0.3071
Loa Loa (eye worm) hypothetical protein 0.0444 0.065 0.0617
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.1523 0.3096 0.4647
Echinococcus multilocularis rac serine:threonine kinase 0.3078 0.6622 1
Loa Loa (eye worm) kelch domain-containing protein family protein 0.025 0.0212 0.0176
Echinococcus granulosus tissue type plasminogen activator 0.0239 0.0186 0.0228
Echinococcus multilocularis nervana 2 0.2921 0.6266 0.946
Entamoeba histolytica protein kinase, putative 0.4568 1 1
Schistosoma mansoni serine/threonine protein kinase 0.1523 0.3096 0.4647
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.2954 0.6341 0.9573
Trypanosoma cruzi rac serine-threonine kinase, putative 0.2954 0.6341 0.9575
Echinococcus multilocularis fibrillin 1 0.0175 0.004 0.0006
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.1523 0.3096 0.4647
Echinococcus granulosus integrin alpha ps 0.0361 0.0462 0.0647
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.149 0.3022 0.3022
Trichomonas vaginalis AGC family protein kinase 0.1523 0.3096 0.3096
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.2954 0.6341 0.9573
Brugia malayi Kelch motif family protein 0.025 0.0212 0.0026
Trypanosoma brucei rac serine-threonine kinase, putative 0.4568 1 1
Entamoeba histolytica protein kinase, putative 0.1523 0.3096 0.3096
Schistosoma mansoni serine/threonine-protein kinase 0.3078 0.6622 1
Trichomonas vaginalis AGC family protein kinase 0.4568 1 1
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.2954 0.6341 1
Schistosoma mansoni integrin alpha 0.0805 0.1468 0.2175
Echinococcus granulosus Protein kinase C brain isozyme 0.1523 0.3096 0.4647
Echinococcus multilocularis protein kinase c iota type 0.1523 0.3096 0.4647
Trichomonas vaginalis AGC family protein kinase 0.1523 0.3096 0.3096
Schistosoma mansoni serine/threonine protein kinase 0.1523 0.3096 0.4647
Loa Loa (eye worm) hypothetical protein 0.0632 0.1076 0.1044
Echinococcus granulosus protein kinase c epsilon type 0.1523 0.3096 0.4647
Echinococcus multilocularis Protein kinase C, brain isozyme 0.1523 0.3096 0.4647
Echinococcus multilocularis serine:threonine protein kinase N2 0.1523 0.3096 0.4647
Entamoeba histolytica protein kinase, putative 0.4568 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.3078 0.6622 0.6622
Entamoeba histolytica protein kinase 2, putative 0.2954 0.6341 0.6341
Trypanosoma cruzi Protein kinase B 0.3078 0.6622 1
Trichomonas vaginalis AGC family protein kinase 0.4568 1 1
Schistosoma mansoni integrin alpha-ps 0.0188 0.007 0.0051
Schistosoma mansoni serine/threonine protein kinase 0.1523 0.3096 0.4647
Echinococcus multilocularis serine:threonine protein kinase 38 0.1523 0.3096 0.4647
Loa Loa (eye worm) hypothetical protein 0.0609 0.1024 0.0991
Toxoplasma gondii kringle domain-containing protein 0.0239 0.0186 0.0192
Schistosoma mansoni hypothetical protein 0.0239 0.0186 0.0228
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.1523 0.3096 0.4647
Schistosoma mansoni serine/threonine-protein kinase 0.3078 0.6622 1
Echinococcus multilocularis serine threonine protein kinase 0.1523 0.3096 0.4647
Loa Loa (eye worm) AGC/AKT protein kinase 0.4568 1 1
Schistosoma mansoni integrin beta subunit 0.0971 0.1844 0.2745
Loa Loa (eye worm) integrin beta-2 0.1648 0.338 0.3356
Schistosoma mansoni integrin alpha-ps 0.0361 0.0462 0.0647
Schistosoma mansoni serine/threonine protein kinase 0.1523 0.3096 0.4647
Loa Loa (eye worm) hypothetical protein 0.025 0.0212 0.0176
Echinococcus granulosus serine/threonine protein kinase 0.3078 0.6622 1
Echinococcus multilocularis integrin alpha ps 0.0361 0.0462 0.0647
Echinococcus granulosus Glutaredoxin protein 5 0.2921 0.6266 0.946
Echinococcus granulosus protein kinase C gamma type 0.1523 0.3096 0.4647
Giardia lamblia Kinase, AGC PKA 0.2954 0.6341 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0743 0.1329 0.1963
Echinococcus multilocularis protein kinase c epsilon type 0.1523 0.3096 0.4647
Trypanosoma cruzi rac serine-threonine kinase, putative 0.3078 0.6622 1
Brugia malayi protein kinase C II. 0.1523 0.3096 0.2965
Echinococcus multilocularis microtubule associated protein 2 0.0743 0.1329 0.1963
Loa Loa (eye worm) hypothetical protein 0.0188 0.007 0.0034
Echinococcus multilocularis serine:threonine protein kinase N2 0.1523 0.3096 0.4647
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.4444 0.9719 0.9718
Trichomonas vaginalis AGC family protein kinase 0.4568 1 1
Brugia malayi Integrin beta pat-3 precursor 0.1648 0.338 0.3255
Schistosoma mansoni serine/threonine protein kinase 0.1523 0.3096 0.4647
Brugia malayi Integrin alpha pat-2 precursor 0.0805 0.1468 0.1306
Schistosoma mansoni serine/threonine protein kinase 0.1523 0.3096 0.4647
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.1523 0.3096 0.3071
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.1523 0.3096 0.4647
Brugia malayi Protein kinase domain containing protein 0.1523 0.3096 0.2965
Echinococcus granulosus integrin alpha 3 0.0617 0.1042 0.1528
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.2921 0.6266 0.946
Entamoeba histolytica PH domain containing protein kinase, putative 0.3078 0.6622 0.6622
Plasmodium falciparum cysteine repeat modular protein 1 0.0239 0.0186 0.0294
Trichomonas vaginalis AGC family protein kinase 0.4568 1 1
Onchocerca volvulus 0.0239 0.0186 0.5
Loa Loa (eye worm) AGC/PKN protein kinase 0.1523 0.3096 0.3071
Trichomonas vaginalis AGC family protein kinase 0.4568 1 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.1523 0.3096 0.3071
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0609 0.1024 0.0853
Echinococcus granulosus protein kinase c iota type 0.1523 0.3096 0.4647
Schistosoma mansoni serine/threonine protein kinase 0.1523 0.3096 0.4647
Echinococcus granulosus serine:threonine protein kinase N2 0.1523 0.3096 0.4647
Trypanosoma cruzi hypothetical protein, conserved 0.0239 0.0186 0.0282
Loa Loa (eye worm) hypothetical protein 0.1523 0.3096 0.3071
Echinococcus multilocularis integrin alpha ps 0.0361 0.0462 0.0647
Echinococcus granulosus NDR protein kinase 0.1523 0.3096 0.4647
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.1523 0.3096 0.3071
Schistosoma mansoni serine/threonine kinase 0.1523 0.3096 0.4647
Brugia malayi p70 ribosomal S6 kinase beta 0.4444 0.9719 0.9713
Schistosoma mansoni atypical protein kinase C 0.1523 0.3096 0.4647
Trichomonas vaginalis AGC family protein kinase 0.1647 0.3378 0.3378
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.2954 0.6341 1
Entamoeba histolytica protein kinase, putative 0.4444 0.9719 0.9719
Echinococcus multilocularis tissue type plasminogen activator 0.0239 0.0186 0.0228
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.2921 0.6266 0.946
Leishmania major hypothetical protein, conserved 0.0239 0.0186 1
Echinococcus multilocularis Glutaredoxin protein 5 0.2921 0.6266 0.946
Brugia malayi Protein kinase domain containing protein 0.1523 0.3096 0.2965
Echinococcus multilocularis integrin alpha 3 0.0617 0.1042 0.1528
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.1523 0.3096 0.3071

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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