Detailed information for compound 1418089

Basic information

Technical information
  • TDR Targets ID: 1418089
  • Name: 4-(2,5-dimethylphenoxy)-1-morpholin-4-ylbutan -1-one
  • MW: 277.359 | Formula: C16H23NO3
  • H donors: 0 H acceptors: 1 LogP: 2.04 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)OCCCC(=O)N1CCOCC1)C
  • InChi: 1S/C16H23NO3/c1-13-5-6-14(2)15(12-13)20-9-3-4-16(18)17-7-10-19-11-8-17/h5-6,12H,3-4,7-11H2,1-2H3
  • InChiKey: OAFNTRDCYKBJCG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(2,5-dimethylphenoxy)-1-morpholino-butan-1-one
  • 4-(2,5-dimethylphenoxy)-1-morpholinobutan-1-one
  • 4-(2,5-dimethylphenoxy)-1-morpholin-4-yl-butan-1-one
  • MLS000708896
  • SMR000289663
  • 4-(2,5-Dimethyl-phenoxy)-1-morpholin-4-yl-butan-1-one
  • BAS 05166128
  • ST062936
  • ZINC01779938

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
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 granulosus Smad4 0.0067 0.0566 0.2219
Echinococcus granulosus smad 0.0067 0.0566 0.2219
Echinococcus granulosus mothers against decapentaplegic 2 0.003 0.0185 0.0724
Echinococcus granulosus mothers against decapentaplegic 5 0.0067 0.0566 0.2219
Echinococcus multilocularis mothers against decapentaplegic 6 0.003 0.0185 0.0724
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0012 0 0.5
Loa Loa (eye worm) MH1 domain-containing protein 0.0067 0.0566 0.0566
Echinococcus granulosus mothers against decapentaplegic 6 0.003 0.0185 0.0724
Brugia malayi Latrophilin receptor protein 2 0.0179 0.1731 0.1731
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1059 1
Echinococcus granulosus GPCR family 2 0.0179 0.1731 0.6782
Schistosoma mansoni Smad4 0.0067 0.0566 0.1458
Brugia malayi RNA recognition motif domain containing protein 0.0258 0.2553 0.2553
Loa Loa (eye worm) MH2 domain-containing protein 0.0977 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0179 0.1731 0.6782
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0098 0.0893 0.3497
Loa Loa (eye worm) hypothetical protein 0.0566 0.5738 0.5738
Schistosoma mansoni hypothetical protein 0.0179 0.1731 0.4458
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0179 0.1731 0.6782
Brugia malayi isocitrate dehydrogenase 0.0098 0.0893 0.0893
Schistosoma mansoni Smad4 0.003 0.0185 0.0476
Schistosoma mansoni smad 0.003 0.0185 0.0476
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0179 0.1731 0.6782
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0566 0.5738 0.5738
Schistosoma mansoni tar DNA-binding protein 0.0258 0.2553 0.6573
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1059 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.1059 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1059 1
Loa Loa (eye worm) nuclear factor I 0.0037 0.0258 0.0258
Brugia malayi MH2 domain containing protein 0.0067 0.0566 0.0566
Schistosoma mansoni tar DNA-binding protein 0.0258 0.2553 0.6573
Schistosoma mansoni hypothetical protein 0.0179 0.1731 0.4458
Loa Loa (eye worm) MH1 domain-containing protein 0.003 0.0185 0.0185
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.1059 0.5361
Loa Loa (eye worm) Smad1 0.0067 0.0566 0.0566
Loa Loa (eye worm) TAR-binding protein 0.0258 0.2553 0.2553
Echinococcus multilocularis smad 0.0067 0.0566 0.2219
Brugia malayi mothers against decapentaplegic homolog 3 0.003 0.0185 0.0185
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0179 0.1731 0.6782
Schistosoma mansoni smad1 5 8 and 0.0067 0.0566 0.1458
Brugia malayi Isocitrate dehydrogenase 0.0098 0.0893 0.0893
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0098 0.0893 0.3497
Loa Loa (eye worm) MH2 domain-containing protein 0.0067 0.0566 0.0566
Echinococcus multilocularis isocitrate dehydrogenase 0.0098 0.0893 0.3497
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1059 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0067 0.0566 0.2219
Schistosoma mansoni hypothetical protein 0.0179 0.1731 0.4458
Schistosoma mansoni hypothetical protein 0.0387 0.3883 1
Schistosoma mansoni tar DNA-binding protein 0.0258 0.2553 0.6573
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1059 1
Brugia malayi Smad1 0.0067 0.0566 0.0566
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1059 1
Loa Loa (eye worm) hypothetical protein 0.0387 0.3883 0.3883
Trypanosoma brucei polo-like protein kinase 0.0114 0.1059 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0098 0.0893 0.5
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.1059 0.4147
Brugia malayi MH1 domain containing protein 0.0037 0.0258 0.0258
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0012 0 0.5
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0187 0.1815 0.1815
Brugia malayi Calcitonin receptor-like protein seb-1 0.0566 0.5738 0.5738
Brugia malayi N-terminal motif family protein 0.0187 0.1815 0.1815
Schistosoma mansoni tar DNA-binding protein 0.0258 0.2553 0.6573
Brugia malayi RNA binding protein 0.0258 0.2553 0.2553
Loa Loa (eye worm) isocitrate dehydrogenase 0.0098 0.0893 0.0893
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.1059 0.1059
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.1059 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0098 0.0893 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0387 0.3883 0.3883
Toxoplasma gondii isocitrate dehydrogenase 0.0098 0.0893 0.5
Schistosoma mansoni smad 0.0067 0.0566 0.1458
Schistosoma mansoni smad1 5 8 and 0.0067 0.0566 0.1458
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.1059 1
Loa Loa (eye worm) RNA binding protein 0.0258 0.2553 0.2553
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0098 0.0893 0.3497
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0067 0.0566 0.1458
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0187 0.1815 1
Echinococcus multilocularis Smad4 0.0067 0.0566 0.2219
Schistosoma mansoni tar DNA-binding protein 0.0258 0.2553 0.6573
Echinococcus multilocularis mothers against decapentaplegic 2 0.003 0.0185 0.0724
Echinococcus granulosus tar DNA binding protein 0.0258 0.2553 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0098 0.0893 0.8433
Brugia malayi MH1 domain containing protein 0.0037 0.0258 0.0258
Brugia malayi MH2 domain containing protein 0.003 0.0185 0.0185
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0067 0.0566 0.2219
Loa Loa (eye worm) hypothetical protein 0.0179 0.1731 0.1731
Brugia malayi MH1 domain containing protein 0.0067 0.0566 0.0566
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.1059 0.1059
Brugia malayi TAR-binding protein 0.0258 0.2553 0.2553
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0098 0.0893 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0067 0.0566 0.2219
Brugia malayi MH2 domain containing protein 0.0067 0.0566 0.0566
Toxoplasma gondii isocitrate dehydrogenase 0.0098 0.0893 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.1059 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0258 0.0258
Schistosoma mansoni Smad4 0.003 0.0185 0.0476
Loa Loa (eye worm) transcription factor SMAD2 0.0977 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0566 0.5738 0.5738
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0462 0.4362
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.1059 0.4147
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0098 0.0893 0.3497
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0179 0.1731 0.1731
Schistosoma mansoni kinase 0.0058 0.0477 0.1229
Brugia malayi MH1 domain containing protein 0.0067 0.0566 0.0566
Schistosoma mansoni smad1 5 8 and 0.0067 0.0566 0.1458
Giardia lamblia Kinase, PLK 0.0114 0.1059 0.5
Echinococcus multilocularis tar DNA binding protein 0.0258 0.2553 1
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0462 0.4362
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0098 0.0893 0.3497
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.1059 0.2726
Schistosoma mansoni hypothetical protein 0.0179 0.1731 0.4458
Loa Loa (eye worm) hypothetical protein 0.003 0.0185 0.0185
Echinococcus multilocularis GPCR, family 2 0.0179 0.1731 0.6782
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0258 0.2553 0.2553
Loa Loa (eye worm) latrophilin receptor protein 2 0.0179 0.1731 0.1731
Loa Loa (eye worm) MH2 domain-containing protein 0.003 0.0185 0.0185
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0098 0.0893 0.2299
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.1059 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.5733 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 13.3714 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 33.8078 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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