Detailed information for compound 1803981

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 263.375 | Formula: C16H25NO2
  • H donors: 0 H acceptors: 0 LogP: 4.43 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC/C=N/OCCOc1ccc(cc1)CC(C)(C)C
  • InChi: 1S/C16H25NO2/c1-5-10-17-19-12-11-18-15-8-6-14(7-9-15)13-16(2,3)4/h6-10H,5,11-13H2,1-4H3/b17-10+
  • InChiKey: UZUBKBNMUGKIPL-LICLKQGHSA-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
Schistosoma mansoni serine/threonine-protein kinase 0.0068 0.1064 0.1064
Loa Loa (eye worm) hypothetical protein 0.0124 0.296 0.296
Brugia malayi Protein kinase domain containing protein 0.0101 0.2172 0.2172
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0068 0.1064 0.1064
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0332 1 1
Brugia malayi serine/threonine kinase 12 0.0332 1 1
Loa Loa (eye worm) chitinase I 0.0078 0.1406 0.1406
Echinococcus granulosus serine/threonine protein kinase 0.0068 0.1064 0.1064
Leishmania major protein kinase, putative 0.0332 1 1
Entamoeba histolytica protein kinase 2, putative 0.0068 0.1064 0.1064
Echinococcus multilocularis nervana 2 0.0064 0.0933 0.0933
Trichomonas vaginalis AGC family protein kinase 0.0101 0.2172 0.2172
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0124 0.296 0.296
Loa Loa (eye worm) hypothetical protein 0.0067 0.1017 0.1017
Plasmodium falciparum serine/threonine protein kinase, putative 0.0332 1 1
Trypanosoma cruzi aurora B kinase, putative 0.0332 1 1
Entamoeba histolytica protein kinase, putative 0.0101 0.2172 0.2172
Echinococcus multilocularis aurora kinase A 0.0332 1 1
Echinococcus multilocularis Glutaredoxin protein 5 0.0064 0.0933 0.0933
Plasmodium vivax hypothetical protein, conserved 0.0124 0.296 0.2122
Entamoeba histolytica protein kinase, putative 0.009 0.1822 0.1822
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.009 0.1822 0.0848
Echinococcus granulosus serine threonine protein kinase nrc 0.0068 0.1064 0.1064
Trichomonas vaginalis AGC family protein kinase 0.0101 0.2172 0.2172
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0068 0.1064 0.1064
Trypanosoma brucei rac serine-threonine kinase, putative 0.0101 0.2172 0.0427
Toxoplasma gondii hypothetical protein 0.0124 0.296 0.1007
Entamoeba histolytica protein kinase domain containing protein 0.009 0.1822 0.1822
Trichomonas vaginalis AGC family protein kinase 0.0101 0.2172 0.2172
Entamoeba histolytica protein kinase , putative 0.0332 1 1
Loa Loa (eye worm) microfilarial chitinase 0.0076 0.1336 0.1336
Trichomonas vaginalis AGC family protein kinase 0.0332 1 1
Loa Loa (eye worm) AGC/AKT protein kinase 0.0101 0.2172 0.2172
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0332 1 1
Onchocerca volvulus Putative endochitinase 0.0088 0.1725 0.2052
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0064 0.0933 0.0933
Brugia malayi endochitinase 0.0088 0.1725 0.1725
Echinococcus granulosus dual specificity 0.009 0.1822 0.1822
Trichomonas vaginalis AGC family protein kinase 0.0101 0.2172 0.2172
Trichomonas vaginalis AGC family protein kinase 0.0101 0.2172 0.2172
Echinococcus granulosus nervana 2 0.0064 0.0933 0.0933
Echinococcus granulosus nervana 2 0.0064 0.0933 0.0933
Brugia malayi endochitinase 0.0078 0.1406 0.1406
Loa Loa (eye worm) AUR protein kinase 0.0332 1 1
Entamoeba histolytica hypothetical protein 0.009 0.1822 0.1822
Trichomonas vaginalis AGC family protein kinase 0.0332 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0068 0.1064 0.1064
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0332 1 1
Entamoeba histolytica protein kinase, putative 0.0101 0.2172 0.2172
Entamoeba histolytica protein kinase, putative 0.009 0.1822 0.1822
Echinococcus multilocularis nervana 2 0.0064 0.0933 0.0933
Onchocerca volvulus Putative endochitinase 0.0088 0.1725 0.2052
Onchocerca volvulus 0.0124 0.296 1
Brugia malayi p70 ribosomal S6 kinase beta 0.0101 0.2172 0.2172
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0332 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0068 0.1064 0.1064
Schistosoma mansoni serine/threonine protein kinase 0.009 0.1822 0.1822
Entamoeba histolytica protein kinase domain containing protein 0.0332 1 1
Trichomonas vaginalis AGC family protein kinase 0.0101 0.2172 0.2172
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0124 0.296 0.296
Plasmodium falciparum conserved protein, unknown function 0.0124 0.296 0.2122
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0124 0.296 0.296
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.009 0.1822 0.0848
Loa Loa (eye worm) hypothetical protein 0.0124 0.296 0.296
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0332 1 1
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.009 0.1822 0.0484
Trypanosoma brucei aurora B kinase 0.0332 1 1
Echinococcus granulosus aurora kinase A 0.0332 1 1
Entamoeba histolytica chitinase, putative 0.0078 0.1406 0.1406
Echinococcus multilocularis dual specificity 0.009 0.1822 0.1822
Echinococcus granulosus Glutaredoxin protein 5 0.0064 0.0933 0.0933
Loa Loa (eye worm) hypothetical protein 0.0087 0.1691 0.1691
Trichomonas vaginalis AGC family protein kinase 0.0332 1 1
Loa Loa (eye worm) AUR protein kinase 0.0332 1 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0101 0.2172 0.2172
Entamoeba histolytica protein kinase, putative 0.0332 1 1
Entamoeba histolytica protein kinase, putative 0.0332 1 1
Mycobacterium tuberculosis Possible chitinase 0.0067 0.1017 0.5
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.009 0.1822 0.1822
Giardia lamblia Aurora kinase 0.0332 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0332 1 1
Brugia malayi Endochitinase 0.0088 0.1725 0.1725
Onchocerca volvulus Putative endochitinase 0.0088 0.1725 0.2052
Toxoplasma gondii aurora kinase 0.0332 1 1
Echinococcus multilocularis rac serine:threonine kinase 0.0068 0.1064 0.1064
Brugia malayi serine/threonine-protein kinase 6 0.0332 1 1
Mycobacterium ulcerans chitinase/cellulase 0.0067 0.1017 0.5
Brugia malayi Protein kinase domain containing protein 0.009 0.1822 0.1822
Schistosoma mansoni serine/threonine-protein kinase 0.0068 0.1064 0.1064
Mycobacterium ulcerans chitinase/cellulase 0.0067 0.1017 0.5
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0332 1 1
Entamoeba histolytica protein kinase, putative 0.0101 0.2172 0.2172
Schistosoma mansoni hypothetical protein 0.0124 0.296 0.296
Onchocerca volvulus 0.0124 0.296 1
Loa Loa (eye worm) AUR protein kinase 0.0332 1 1
Loa Loa (eye worm) cuticular endochitinase 0.0078 0.1406 0.1406
Loa Loa (eye worm) hypothetical protein 0.0087 0.1691 0.1691
Schistosoma mansoni protein kinase 0.0332 1 1
Trichomonas vaginalis AGC family protein kinase 0.0101 0.2172 0.2172
Trichomonas vaginalis AGC family protein kinase 0.0332 1 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0064 0.0933 0.0933

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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