Detailed information for compound 1412191

Basic information

Technical information
  • TDR Targets ID: 1412191
  • Name: [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-piper idin-1-ylmethanone
  • MW: 329.39 | Formula: C19H23NO4
  • H donors: 0 H acceptors: 1 LogP: 3.46 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)OCc1ccc(o1)C(=O)N1CCCCC1
  • InChi: 1S/C19H23NO4/c1-2-22-15-6-8-16(9-7-15)23-14-17-10-11-18(24-17)19(21)20-12-4-3-5-13-20/h6-11H,2-5,12-14H2,1H3
  • InChiKey: QMGIRJRALLTTJE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [5-[(4-ethoxyphenoxy)methyl]-2-furyl]-(1-piperidyl)methanone
  • [5-[(4-ethoxyphenoxy)methyl]-2-furyl]-piperidino-methanone
  • [5-[(4-ethoxyphenoxy)methyl]furan-2-yl]-piperidin-1-yl-methanone
  • Oprea1_624936
  • ZINC00467333
  • AK-968/15255226

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
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
Schistosoma mansoni cpg binding protein 0.0037 0.4619 0.4619
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.1054 0.1184
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.1054 0.1184
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.1054 0.1054
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.1054 0.1184
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0215 0.0127
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.4331 0.5313
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.042 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.1054 0.1184
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.2052 0.4301
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0531 0.0925
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.042 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.1054 0.2086
Onchocerca volvulus 0.0012 0.1054 0.2229
Echinococcus multilocularis GPCR, family 2 0.0019 0.2052 0.4301
Schistosoma mansoni hypothetical protein 0.0019 0.2052 0.2052
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.1054 0.1184
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.1054 0.1184
Loa Loa (eye worm) hypothetical protein 0.0019 0.2052 0.2441
Brugia malayi CXXC zinc finger family protein 0.0035 0.4331 0.5313
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.1054 0.1054
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0006 0.0114 0.0114
Loa Loa (eye worm) hypothetical protein 0.0006 0.0215 0.0127
Loa Loa (eye worm) hypothetical protein 0.0012 0.1054 0.1184
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.1054 0.2086
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0215 0.0215
Schistosoma mansoni nuclear receptor 0.0006 0.0114 0.0114
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.1054 0.2086
Schistosoma mansoni thyroid hormone receptor 0.0012 0.1054 0.1054
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.8052 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.1054 0.1184
Schistosoma mansoni hypothetical protein 0.0041 0.5275 0.5275
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.2052 0.2441
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.1054 0.2086
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.1054 0.2229
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.1054 0.1184
Brugia malayi nuclear receptor RXR 0.0006 0.0215 0.0127
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.1054 0.1054
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0839 0.1609
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.1054 0.2086
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.1054 0.2086
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.1054 0.2086
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.042 0.5
Schistosoma mansoni nuclear hormone receptor 0.0006 0.0114 0.0114
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.1054 0.1184
Loa Loa (eye worm) hypothetical protein 0.0012 0.1054 0.1184
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.1054 0.1184
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.042 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0215 0.0127
Brugia malayi hypothetical protein 0.0006 0.0215 0.0127
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.1054 0.1184
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.1054 0.1184
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.042 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0839 0.1609
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0215 0.0215
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.1054 0.2086
Loa Loa (eye worm) hypothetical protein 0.0041 0.5275 0.6501
Schistosoma mansoni coup transcription factor 0.0012 0.1054 0.1054
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.2052 0.4301
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.042 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.1054 0.2086
Loa Loa (eye worm) hypothetical protein 0.006 0.8052 1
Echinococcus multilocularis cpg binding protein 0.0037 0.4619 1
Brugia malayi ecdysteroid receptor 0.0012 0.1054 0.1184
Brugia malayi nuclear hormone receptor 0.0012 0.1054 0.1184
Loa Loa (eye worm) hypothetical protein 0.0012 0.1054 0.1184
Loa Loa (eye worm) hypothetical protein 0.0012 0.1054 0.1184
Brugia malayi steroid hormone receptor 0.0012 0.1054 0.1184
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.1054 0.1054
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.1054 0.1184
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.1054 0.2229
Loa Loa (eye worm) hypothetical protein 0.0012 0.1054 0.1184
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.1054 0.1054
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0215 0.0223
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.8052 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.1054 0.1184
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.1054 0.2086
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.1054 0.2086
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0839 0.0913
Onchocerca volvulus 0.0035 0.4331 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.1054 0.2086
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.2052 0.4301
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.042 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.0215 0.0127
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.042 0.5
Schistosoma mansoni nuclear receptor nhr-48 0.0006 0.0114 0.0114
Trichomonas vaginalis helicase, putative 0.0008 0.042 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.1054 0.1184
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.1054 0.1054
Loa Loa (eye worm) hypothetical protein 0.0012 0.1054 0.1184
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.1054 0.1054
Schistosoma mansoni thyroid hormone receptor 0.0012 0.1054 0.1054
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.042 0.5
Echinococcus granulosus FTZ F1 alpha 0.0012 0.1054 0.2086
Schistosoma mansoni cpg binding protein 0.0037 0.4619 0.4619
Loa Loa (eye worm) hypothetical protein 0.0012 0.1054 0.1184
Schistosoma mansoni hypothetical protein 0.0019 0.2052 0.2052
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.8052 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.1054 0.1184
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0531 0.0531
Loa Loa (eye worm) hypothetical protein 0.0012 0.1054 0.1184
Loa Loa (eye worm) hypothetical protein 0.0006 0.0215 0.0127
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.042 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.1054 0.1054
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.1054 0.1184
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0215 0.0127
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.5275 0.6501
Brugia malayi nuclear receptor NHR-88 0.0012 0.1054 0.1184
Schistosoma mansoni nuclear hormone receptor 0.0012 0.1054 0.1054
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.1054 0.2229
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.1054 0.2086
Schistosoma mansoni cpg binding protein 0.0035 0.4331 0.4331
Loa Loa (eye worm) hypothetical protein 0.0006 0.0215 0.0127
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.1054 0.1184
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0819 0.0888
Echinococcus granulosus cpg binding protein 0.0037 0.4619 1
Echinococcus granulosus GPCR family 2 0.0019 0.2052 0.4301
Schistosoma mansoni hypothetical protein 0.0019 0.2052 0.2052
Brugia malayi Latrophilin receptor protein 2 0.0019 0.2052 0.2441
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.2052 0.4301
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.1054 0.2086
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.042 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.042 0.5
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.8854 0.5
Loa Loa (eye worm) hypothetical protein 0.0006 0.0215 0.0127
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.042 0.5
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0531 0.0925
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.1054 0.2086
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.042 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0215 0.0223
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.2052 0.2441
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0531 0.0925
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.042 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.1054 0.2086
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.1054 0.1184
Schistosoma mansoni zinc finger protein 0.0006 0.0114 0.0114
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.1054 0.1184
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.1054 0.1184
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.1054 0.1184
Schistosoma mansoni nuclear hormone receptor 0.0006 0.0114 0.0114
Brugia malayi hypothetical protein 0.0006 0.0215 0.0127
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0006 0.0114 0.0114
Schistosoma mansoni nuclear receptor 0.0006 0.0114 0.0114
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.042 0.5
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0531 0.0925
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.1054 0.2086
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.042 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.1054 0.1184
Schistosoma mansoni hypothetical protein 0.0019 0.2052 0.2052
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.1054 0.1054
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.1054 0.1184

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 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) 25.9185 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 (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): 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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