Detailed information for compound 1677545

Basic information

Technical information
  • TDR Targets ID: 1677545
  • Name: 1-(2,6-dimethylpiperidin-1-yl)-3-(5-methyl-2- propan-2-ylcyclohexyl)oxypropan-2-ol
  • MW: 325.529 | Formula: C20H39NO2
  • H donors: 1 H acceptors: 1 LogP: 4.69 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCC(C(C1)OCC(CN1C(C)CCCC1C)O)C(C)C
  • InChi: 1S/C20H39NO2/c1-14(2)19-10-9-15(3)11-20(19)23-13-18(22)12-21-16(4)7-6-8-17(21)5/h14-20,22H,6-13H2,1-5H3
  • InChiKey: YZZLWRCPCIMEHR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2,6-dimethyl-1-piperidyl)-3-(2-isopropyl-5-methyl-cyclohexoxy)propan-2-ol
  • 1-(2,6-dimethyl-1-piperidinyl)-3-(2-isopropyl-5-methylcyclohexoxy)propan-2-ol
  • 1-(2,6-dimethylpiperidin-1-yl)-3-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-propan-2-ol
  • Oprea1_621981
  • Oprea1_192018

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
Loa Loa (eye worm) plexin A 0.0067 0.0206 0.0206
Schistosoma mansoni plexin 0.0033 0.0044 0.0531
Brugia malayi P21-Rho-binding domain containing protein 0.018 0.0751 0.0751
Schistosoma mansoni hypothetical protein 0.0033 0.0044 0.0531
Schistosoma mansoni protein kinase 0.0184 0.0768 0.9234
Schistosoma mansoni protein kinase 0.018 0.0751 0.903
Schistosoma mansoni hypothetical protein 0.0197 0.0831 1
Schistosoma mansoni hypothetical protein 0.018 0.0751 0.903
Loa Loa (eye worm) P21-Rho-binding domain-containing protein 0.018 0.0751 0.0751
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0184 0.0768 0.084
Loa Loa (eye worm) hypothetical protein 0.0033 0.0044 0.0044
Entamoeba histolytica protein kinase, putative 0.0184 0.0768 1
Onchocerca volvulus 0.0056 0.0157 1
Loa Loa (eye worm) hypothetical protein 0.018 0.0751 0.0751
Schistosoma mansoni serine/threonine protein kinase 0.0183 0.0764 0.9188
Entamoeba histolytica protein kinase, putative 0.0184 0.0768 1
Brugia malayi plexin A 0.0067 0.0206 0.0206
Echinococcus multilocularis PAK box P21 Rho binding 0.0184 0.0768 0.084
Trichomonas vaginalis STE family protein kinase 0.0184 0.0768 1
Echinococcus granulosus plexin a4 0.0067 0.0206 0.0225
Trichomonas vaginalis STE family protein kinase 0.0184 0.0768 1
Echinococcus granulosus 3'partial|serine:threonine protein kinase PAK 2 0.018 0.0751 0.0822
Schistosoma mansoni protein kinase 0.0184 0.0768 0.9234
Echinococcus granulosus p21 activated protein kinase 1 Dpak1 0.0184 0.0768 0.084
Brugia malayi Plexin repeat family protein 0.0056 0.0157 0.0157
Echinococcus granulosus PAK box P21 Rho binding 0.018 0.0751 0.0822
Schistosoma mansoni plexin 0.0056 0.0157 0.1883
Entamoeba histolytica protein kinase, putative 0.0184 0.0768 1
Schistosoma mansoni wiskott-aldrich syndrome protein 0.018 0.0751 0.903
Entamoeba histolytica p21-activated kinase 0.0184 0.0768 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0157 0.0157
Schistosoma mansoni hypothetical protein 0.018 0.0751 0.903
Entamoeba histolytica protein kinase, putative 0.0184 0.0768 1
Echinococcus multilocularis p21 activated protein kinase 1 Dpak1 0.0184 0.0768 0.084
Schistosoma mansoni hypothetical protein 0.018 0.0751 0.903
Brugia malayi P21-Rho-binding domain containing protein 0.018 0.0751 0.0751
Brugia malayi WH1 domain containing protein 0.018 0.0751 0.0751
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0184 0.0768 0.084
Trichomonas vaginalis STE family protein kinase 0.0184 0.0768 1
Echinococcus multilocularis serine:threonine protein kinase PAK 4 0.1934 0.9137 1
Giardia lamblia Kinase, STE STE20 0.0184 0.0768 0.5
Schistosoma mansoni hypothetical protein 0.0197 0.0831 1
Echinococcus granulosus neural Wiskott Aldrich syndrome protein 0.018 0.0751 0.0822
Echinococcus granulosus geminin 0.0197 0.0831 0.091
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.2115 1 1
Trichomonas vaginalis STE family protein kinase 0.0184 0.0768 1
Echinococcus multilocularis PAK box P21 Rho binding 0.018 0.0751 0.0822
Echinococcus granulosus serine:threonine protein kinase PAK 4 0.1934 0.9137 1
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0184 0.0768 0.084
Echinococcus multilocularis geminin 0.0197 0.0831 0.091
Schistosoma mansoni protein kinase 0.0184 0.0768 0.9234
Schistosoma mansoni tyrosine kinase 0.0183 0.0764 0.9188
Trichomonas vaginalis STE family protein kinase 0.0184 0.0768 1
Echinococcus multilocularis plexin a4 0.0067 0.0206 0.0225
Brugia malayi Protein kinase domain 0.0184 0.0768 0.0768
Echinococcus multilocularis neural Wiskott Aldrich syndrome protein 0.018 0.0751 0.0822
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0184 0.0768 0.084

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3.51 uM DNDI DNDI. No reference
IC50 > 20.83 uM DNDI: Cytotoxicity against human MRC-5 lung fibroblast cells. ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei gambiense

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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