Detailed information for compound 1355878

Basic information

Technical information
  • TDR Targets ID: 1355878
  • Name: 2-(3,4-dimethylphenoxy)-N-[(1-morpholin-4-ylc yclohexyl)methyl]propanamide
  • MW: 374.517 | Formula: C22H34N2O3
  • H donors: 1 H acceptors: 1 LogP: 3.66 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(Oc1ccc(c(c1)C)C)C)NCC1(CCCCC1)N1CCOCC1
  • InChi: 1S/C22H34N2O3/c1-17-7-8-20(15-18(17)2)27-19(3)21(25)23-16-22(9-5-4-6-10-22)24-11-13-26-14-12-24/h7-8,15,19H,4-6,9-14,16H2,1-3H3,(H,23,25)
  • InChiKey: KTLOPNROMKOENX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3,4-dimethylphenoxy)-N-[(1-morpholinocyclohexyl)methyl]propanamide
  • 2-(3,4-dimethylphenoxy)-N-[(1-morpholinocyclohexyl)methyl]propionamide
  • D335-0564
  • NCGC00118517-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mechanistic target of rapamycin (serine/threonine kinase) Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upstream TOR2 CDS (CaP19.1905) Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Toxoplasma gondii target of rapamycin (TOR), putative Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum ko:K07203 FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma congolense Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania donovani Phosphatidylinositol 3-kinase tor2 Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Neospora caninum Phosphatidylinositol 3-kinase tor2, related Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Giardia lamblia GTOR Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans frameshifted from upsteam TOR2 CDS (CaP19.9461) Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3-kinase tor, putative Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3-kinase (tor2)-like protein Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania infantum target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trypanosoma brucei gambiense phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans similar to internal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) protein/phosphatidylinositol kinases involved in n Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum FKBP12-rapamycin complex-associated protein, putative Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania mexicana phosphatidylinositol 3 kinase, putative Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania major target of rapamycin (TOR) kinase 1, putative Get druggable targets OG5_127212 All targets in OG5_127212
Candida albicans similar to N terminal region of S. cerevisiae TOR2 (YKL203C) and TOR1 (YJR066W) putative protein/phosphatidylinositol kinases in Get druggable targets OG5_127212 All targets in OG5_127212
Leishmania braziliensis target of rapamycin (TOR) kinase 2, putative Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus FKBP12 rapamycin complex associated protein Get druggable targets OG5_127212 All targets in OG5_127212
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_127212 All targets in OG5_127212
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1785 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.3021 0.2856
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1785 0.0018
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0026 0.1152 0.0985
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0054 0.6131 0.6131
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.371 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.6131 1
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.4198 0.556
Loa Loa (eye worm) hypothetical protein 0.0041 0.3848 0.3848
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0054 0.6131 0.6131
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0054 0.6131 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.4198 0.556
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0054 0.6131 0.5
Giardia lamblia GTOR 0.0054 0.6131 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.6131 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0043 0.4206 0.6514
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1785 0.0018
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.2329 0.1267
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.2817 0.2387
Trichomonas vaginalis PIKK family atypical protein kinase 0.0054 0.6131 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.4198 0.556
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.2273 0.1138
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.371 0.444
Loa Loa (eye worm) phosphatidylinositol 3 0.0054 0.6131 0.6131
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.4198 0.556
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.3848 0.3848
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.7163 0.7163
Trichomonas vaginalis PIKK family atypical protein kinase 0.0043 0.4198 0.556
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.7163 0.7163
Loa Loa (eye worm) hypothetical protein 0.006 0.7163 0.7163
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.2329 0.1267
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus multilocularis tar DNA binding protein 0.0076 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.371 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.371 0.444
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.371 0.444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0046 0.475 0.6827
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.2273 0.1138
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0054 0.6131 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.2329 0.1267
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0054 0.6131 0.5
Toxoplasma gondii target of rapamycin (TOR), putative 0.004 0.371 0.5
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0054 0.6131 1
Echinococcus granulosus tar DNA binding protein 0.0076 1 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0054 0.6131 0.6131
Schistosoma mansoni hypothetical protein 0.0041 0.3848 0.3848
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0054 0.6131 0.6131
Brugia malayi TAR-binding protein 0.0076 1 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0054 0.6131 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1785 0.0018
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0054 0.6131 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.371 0.444
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0054 0.6131 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.7163 0.7163
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.371 0.444

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4125 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2683 uM PUBCHEM_BIOASSAY: IN Cell qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID493208] ChEMBL. No reference
Potency (functional) 13.0918 uM PUBCHEM_BIOASSAY: Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Sytravon. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2660, AID2666, AID2667, AID2668, AID2681, AID504465] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 112.2018 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

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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