Detailed information for compound 1727216

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 302.368 | Formula: C17H22N2O3
  • H donors: 2 H acceptors: 3 LogP: 3.99 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1cc(CNC23CC4CC(C3)CC(C2)C4)ccc1O
  • InChi: 1S/C17H22N2O3/c20-16-2-1-11(6-15(16)19(21)22)10-18-17-7-12-3-13(8-17)5-14(4-12)9-17/h1-2,6,12-14,18,20H,3-5,7-10H2
  • InChiKey: OCDHFFDXJASOHU-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
Trichomonas vaginalis CMGC family protein kinase 0.0384 0.3471 0.0537
Echinococcus granulosus dual specificity 0.0384 0.3471 0.2583
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0384 0.3471 0.2583
Entamoeba histolytica cell division protein kinase 2, putative 0.0354 0.31 0.2494
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0354 0.31 0.2162
Entamoeba histolytica protein kinase domain containing protein 0.0821 0.8829 1
Trichomonas vaginalis CMGC family protein kinase 0.0384 0.3471 0.0537
Loa Loa (eye worm) hypothetical protein 0.0801 0.8589 0.8397
Schistosoma mansoni serine/threonine protein kinase 0.0354 0.31 0.2162
Loa Loa (eye worm) hypothetical protein 0.0801 0.8589 0.8397
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0354 0.31 0.2162
Echinococcus multilocularis dual specificity 0.0384 0.3471 0.2583
Echinococcus granulosus dual specificity 0.0821 0.8829 0.8669
Trichomonas vaginalis CMGC family protein kinase 0.0384 0.3471 0.0537
Trichomonas vaginalis CMGC family protein kinase 0.0384 0.3471 0.0537
Echinococcus multilocularis dual specificity 0.0821 0.8829 0.8669
Echinococcus granulosus cyclin dependent kinase 5 0.0354 0.31 0.2162
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0384 0.3471 0.2583
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0821 0.8829 0.8302
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0384 0.3471 0.0537
Trypanosoma brucei cdc2-related kinase 1 0.0354 0.31 0.31
Loa Loa (eye worm) hypothetical protein 0.0335 0.286 0.1889
Echinococcus granulosus cyclin dependent kinase 1 0.0354 0.31 0.2162
Echinococcus multilocularis 0.0896 0.976 0.9727
Schistosoma mansoni serine/threonine protein kinase 0.0354 0.31 0.2162
Entamoeba histolytica hypothetical protein 0.0821 0.8829 1
Echinococcus multilocularis cyclin dependent kinase 9 0.0231 0.1585 0.044
Entamoeba histolytica protein kinase, putative 0.0821 0.8829 1
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0821 0.8829 0.8669
Entamoeba histolytica protein kinase, putative 0.0821 0.8829 1
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0821 0.8829 0.8829
Brugia malayi cell division control protein 2 homolog 0.0354 0.31 0.2162
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0821 0.8829 0.8302
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0821 0.8829 0.8302
Echinococcus granulosus cyclin dependent kinase 9 0.0231 0.1585 0.044
Trichomonas vaginalis CMGC family protein kinase 0.0384 0.3471 0.0537
Echinococcus granulosus dual specificity 0.0384 0.3471 0.2583
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0354 0.31 0.2162
Echinococcus multilocularis cyclin dependent kinase 0.0354 0.31 0.2162
Schistosoma mansoni serine/threonine protein kinase 0.0821 0.8829 0.8669
Schistosoma mansoni serine/threonine protein kinase 0.0384 0.3471 0.2583
Brugia malayi Protein kinase domain containing protein 0.0821 0.8829 0.8669
Echinococcus multilocularis cyclin dependent kinase 1 0.0354 0.31 0.2162
Entamoeba histolytica protein kinase, putative 0.0384 0.3471 0.298
Entamoeba histolytica cell division protein kinase 2, putative 0.0386 0.3488 0.3001
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0384 0.3471 0.3471
Trypanosoma brucei cdc2-related kinase 3 0.0354 0.31 0.31
Echinococcus multilocularis cyclin dependent kinase 1 0.0354 0.31 0.2162
Brugia malayi Protein kinase domain containing protein 0.0354 0.31 0.2162
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0384 0.3471 0.0537
Loa Loa (eye worm) hypothetical protein 0.0896 0.976 0.9727
Echinococcus multilocularis dual specificity 0.0384 0.3471 0.2583
Giardia lamblia Kinase, CMGC DYRK 0.0384 0.3471 0.0537
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0384 0.3471 0.0537
Echinococcus granulosus cyclin dependent kinase 0.0354 0.31 0.2162
Echinococcus granulosus hypothetical protein 0.0896 0.976 0.9727
Echinococcus granulosus dual specificity 0.0384 0.3471 0.2583
Entamoeba histolytica protein kinase domain containing protein 0.0384 0.3471 0.298
Echinococcus multilocularis cyclin dependent kinase 5 0.0354 0.31 0.2162
Echinococcus multilocularis dual specificity 0.0384 0.3471 0.2583
Trichomonas vaginalis CMGC family protein kinase 0.0384 0.3471 0.0537
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0354 0.31 0.2162

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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