Detailed information for compound 818753

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 426.615 | Formula: C25H34N2O2S
  • H donors: 0 H acceptors: 1 LogP: 4.53 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CC(N(C(=O)C1CC1)C)C1CCN(CC1)Cc1sccc1C
  • InChi: 1S/C25H34N2O2S/c1-18-11-14-30-24(18)17-27-12-9-20(10-13-27)23(26(2)25(28)21-7-8-21)16-19-5-4-6-22(15-19)29-3/h4-6,11,14-15,20-21,23H,7-10,12-13,16-17H2,1-3H3
  • InChiKey: COBNISNNKMPEJG-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 protein kinase c epsilon type 0.0382 0.1235 0.3723
Trypanosoma brucei rac serine-threonine kinase, putative 0.0126 0.0293 0.5
Brugia malayi p70 ribosomal S6 kinase beta 0.0126 0.0293 0.0293
Schistosoma mansoni hypothetical protein 0.0198 0.0559 0.1753
Schistosoma mansoni survival motor neuron protein 0.0056 0.0038 0.0119
Brugia malayi Protein kinase domain containing protein 0.0126 0.0293 0.0293
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0126 0.0293 0.0293
Schistosoma mansoni serine/threonine protein kinase 0.0126 0.0293 0.092
Echinococcus granulosus NDR protein kinase 0.0126 0.0293 0.092
Echinococcus multilocularis serine:threonine protein kinase N2 0.0337 0.1069 0.3221
Echinococcus granulosus serine:threonine protein kinase N2 0.0788 0.2727 0.8549
Schistosoma mansoni hypothetical protein 0.008 0.0124 0.0388
Onchocerca volvulus 0.0422 0.1381 0.437
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0038 0.0038
Trichomonas vaginalis AGC family protein kinase 0.0126 0.0293 1
Trichomonas vaginalis AGC family protein kinase 0.0126 0.0293 1
Onchocerca volvulus 0.0887 0.3094 0.9946
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0117 0.0259 0.0259
Echinococcus multilocularis survival motor neuron protein 1 0.0277 0.0847 0.2554
Loa Loa (eye worm) AGC/AKT protein kinase 0.0126 0.0293 0.0293
Echinococcus granulosus serine:threonine protein kinase N2 0.0914 0.319 1
Trichomonas vaginalis AGC family protein kinase 0.0126 0.0293 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0788 0.2727 0.8219
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0126 0.0293 0.092
Loa Loa (eye worm) AGC/NDR protein kinase 0.0126 0.0293 0.0293
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0126 0.0293 0.0293
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0126 0.0293 0.0885
Entamoeba histolytica PH domain containing protein kinase, putative 0.0215 0.0622 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0124 0.0124
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0126 0.0293 0.092
Loa Loa (eye worm) hypothetical protein 0.0422 0.1381 0.1381
Echinococcus granulosus Protein kinase C brain isozyme 0.0171 0.046 0.1443
Schistosoma mansoni serine/threonine protein kinase 0.0126 0.0293 0.092
Echinococcus multilocularis rho associated protein kinase 0.0892 0.3111 0.9375
Schistosoma mansoni serine/threonine protein kinase 0.0171 0.046 0.1443
Echinococcus granulosus neuropeptide s receptor 0.0543 0.1826 0.5725
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0126 0.0293 0.0293
Brugia malayi follicle stimulating hormone receptor 0.0274 0.0837 0.0837
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.2766 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0269 0.082 0.5
Echinococcus multilocularis serine threonine protein kinase 0.013 0.0308 0.0927
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0126 0.0293 0.092
Trichomonas vaginalis AGC family protein kinase 0.0126 0.0293 1
Brugia malayi protein kinase C II. 0.0382 0.1235 0.1235
Schistosoma mansoni hypothetical protein 0.0198 0.0559 0.1753
Trichomonas vaginalis AGC family protein kinase 0.0126 0.0293 1
Loa Loa (eye worm) thyroid receptor interactor 0.0436 0.1434 0.1434
Brugia malayi Fes/CIP4 homology domain containing protein 0.0436 0.1434 0.1434
Loa Loa (eye worm) hypothetical protein 0.0117 0.0259 0.0259
Brugia malayi Protein kinase domain containing protein 0.0126 0.0293 0.0293
Loa Loa (eye worm) hypothetical protein 0.0463 0.1533 0.1533
Echinococcus granulosus serine:threonine protein kinase N2 0.0215 0.0622 0.1951
Trichomonas vaginalis AGC family protein kinase 0.0126 0.0293 1
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0171 0.046 0.1387
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0382 0.1235 0.1235
Echinococcus granulosus rho-associated protein kinase 1 0.0892 0.3111 0.9752
Trichomonas vaginalis AGC family protein kinase 0.0126 0.0293 1
Echinococcus granulosus neuropeptide receptor A26 0.0543 0.1826 0.5725
Brugia malayi Calcitonin receptor-like protein seb-1 0.0117 0.0259 0.0259
Echinococcus granulosus protein kinase c iota type 0.0167 0.0446 0.1399
Echinococcus multilocularis neuropeptide receptor A26 0.0543 0.1826 0.5504
Schistosoma mansoni hypothetical protein 0.0056 0.0038 0.0119
Loa Loa (eye worm) hypothetical protein 0.0422 0.1381 0.1381
Brugia malayi Protein kinase c protein 2 0.005 0.0014 0.0014
Schistosoma mansoni serine/threonine protein kinase 0.0914 0.319 1
Brugia malayi latrophilin 2 splice variant baaae 0.008 0.0124 0.0124
Schistosoma mansoni atypical protein kinase C 0.0167 0.0446 0.1399
Loa Loa (eye worm) hypothetical protein 0.0277 0.0847 0.0847
Trichomonas vaginalis AGC family protein kinase 0.0126 0.0293 1
Schistosoma mansoni serine/threonine protein kinase 0.0126 0.0293 0.092
Echinococcus granulosus protein kinase C gamma type 0.013 0.0308 0.0964
Schistosoma mansoni serine/threonine protein kinase 0.0171 0.046 0.1443
Schistosoma mansoni serine/threonine protein kinase 0.0892 0.3111 0.9752
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0126 0.0293 0.0293
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0948 0.3318 1
Brugia malayi Hr1 repeat family protein 0.0914 0.319 0.319
Echinococcus multilocularis serine:threonine protein kinase 38 0.0126 0.0293 0.0885
Toxoplasma gondii AGC kinase 0.0126 0.0293 0.5
Echinococcus multilocularis protein kinase c iota type 0.0167 0.0446 0.1345
Loa Loa (eye worm) hypothetical protein 0.0547 0.1844 0.1844
Onchocerca volvulus 0.0892 0.3111 1
Echinococcus multilocularis neuropeptide s receptor 0.0543 0.1826 0.5504
Echinococcus granulosus protein kinase c epsilon type 0.0382 0.1235 0.3873
Loa Loa (eye worm) AGC/PKN protein kinase 0.0914 0.319 0.319
Echinococcus granulosus survival motor neuron protein 1 0.0277 0.0847 0.2657
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0117 0.0259 0.0259
Echinococcus granulosus geminin 0.0198 0.0559 0.1753
Trichomonas vaginalis AGC family protein kinase 0.0126 0.0293 1
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0126 0.0293 0.0885
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0274 0.0837 0.0837
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0126 0.0293 0.0885
Schistosoma mansoni serine/threonine kinase 0.0126 0.0293 0.092
Schistosoma mansoni serine/threonine protein kinase 0.0382 0.1235 0.3873
Trichomonas vaginalis AGC family protein kinase 0.0126 0.0293 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0914 0.319 0.9614
Loa Loa (eye worm) hypothetical protein 0.0422 0.1381 0.1381
Trichomonas vaginalis AGC family protein kinase 0.0126 0.0293 1
Brugia malayi hypothetical protein 0.0277 0.0847 0.0847
Brugia malayi Protein kinase domain containing protein 0.0126 0.0293 0.0293
Echinococcus multilocularis geminin 0.0198 0.0559 0.1686

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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