Detailed information for compound 836070

Basic information

Technical information
  • TDR Targets ID: 836070
  • Name: N-[(2-chlorophenyl)methyl]-2-(4-ethylphenoxy) -N-(furan-2-ylmethyl)acetamide
  • MW: 383.868 | Formula: C22H22ClNO3
  • H donors: 0 H acceptors: 1 LogP: 4.93 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)OCC(=O)N(Cc1ccccc1Cl)Cc1ccco1
  • InChi: 1S/C22H22ClNO3/c1-2-17-9-11-19(12-10-17)27-16-22(25)24(15-20-7-5-13-26-20)14-18-6-3-4-8-21(18)23/h3-13H,2,14-16H2,1H3
  • InChiKey: SWIPQAAXTUPTIB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(2-chlorophenyl)methyl]-2-(4-ethylphenoxy)-N-(2-furylmethyl)acetamide
  • N-(2-chlorobenzyl)-2-(4-ethylphenoxy)-N-(2-furylmethyl)acetamide
  • N-[(2-chlorophenyl)methyl]-2-(4-ethylphenoxy)-N-(furan-2-ylmethyl)ethanamide
  • NCGC00115653-01
  • D062-0512

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Echinococcus multilocularis AMP dependent ligase 0.0053 0.0164 0.0327
Loa Loa (eye worm) hypothetical protein 0.0051 0.0152 0.0336
Echinococcus granulosus microtubule associated protein 2 0.0833 0.4913 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0139 0.0686 0.1391
Leishmania major NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0769 0.4521 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.0432 1
Schistosoma mansoni hypothetical protein 0.004 0.0086 0.0168
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase I subunit F 0.0769 0.4521 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0171 0.0884 0.0732
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0003 0.0007
Loa Loa (eye worm) hypothetical protein 0.0041 0.0091 0.0202
Schistosoma mansoni hypothetical protein 0.0322 0.1799 0.3657
Onchocerca volvulus Acyl carrier protein, mitochondrial homolog 0.0053 0.0164 0.0684
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.034 0.0747
Onchocerca volvulus 0.0053 0.0164 0.0684
Loa Loa (eye worm) hypothetical protein 0.0082 0.034 0.0753
Loa Loa (eye worm) hypothetical protein 0.0027 0.0003 0.0007
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0769 0.4521 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.0441 0.0893
Loa Loa (eye worm) hypothetical protein 0.006 0.0207 0.0459
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.4913 1
Echinococcus granulosus single minded 2 0.0074 0.0293 0.059
Brugia malayi AMP-binding enzyme family protein 0.0053 0.0164 0.0355
Toxoplasma gondii type I fatty acid synthase, putative 0.0053 0.0164 0.5
Onchocerca volvulus 0.0087 0.0368 0.1556
Mycobacterium ulcerans NADH dehydrogenase subunit H 0.0322 0.1799 0.1662
Mycobacterium ulcerans NADH dehydrogenase I subunit F 0.0769 0.4521 0.443
Brugia malayi Phosphopantetheine attachment site family protein 0.0053 0.0164 0.0355
Loa Loa (eye worm) hypothetical protein 0.006 0.0205 0.0452
Brugia malayi hypothetical protein 0.0336 0.1888 0.4173
Echinococcus granulosus tumor protein p63 0.0408 0.2324 0.4728
Brugia malayi NADH dehydrogenase subunit 1, identical 0.0087 0.0368 0.0808
Mycobacterium tuberculosis Possible formate hydrogenlyase HycD (FHL) 0.0087 0.0368 0.0208
Chlamydia trachomatis acyl carrier protein 0.0053 0.0164 0.5
Brugia malayi NADH-ubiquinone oxidoreductase 51 kDa subunit, mitochondrial precursor 0.0769 0.4521 1
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0205 0.041
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain F) NuoF (NADH-ubiquinone oxidoreductase chain F) 0.0769 0.4521 0.443
Echinococcus granulosus acyl carrier protein mitochondrial 0.0053 0.0164 0.0327
Toxoplasma gondii type I fatty acid synthase, putative 0.0053 0.0164 0.5
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0095 0.021
Loa Loa (eye worm) hypoxia-induced factor 1 0.031 0.173 0.3826
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0769 0.4521 1
Brugia malayi hypoxia-induced factor 1 0.031 0.173 0.3822
Schistosoma mansoni single-minded 0.01 0.0451 0.0913
Schistosoma mansoni hypothetical protein 0.0041 0.0091 0.018
Plasmodium vivax acyl carrier protein, putative 0.0053 0.0164 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0095 0.021
Schistosoma mansoni patched 1 0.0042 0.0095 0.0187
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0164 0.0355
Echinococcus multilocularis expressed conserved protein 0.0091 0.0396 0.0801
Echinococcus granulosus Niemann Pick C1 protein 0.0139 0.0686 0.1391
Trypanosoma cruzi NADH-ubiquinone oxidoreductase, mitochondrial, putative 0.0769 0.4521 1
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0095 0.0187
Schistosoma mansoni hypothetical protein 0.004 0.0086 0.0168
Mycobacterium ulcerans proteasome PrcA 0.1669 1 1
Echinococcus granulosus NADH dehydrogenase subunit 1 0.0322 0.1799 0.3657
Loa Loa (eye worm) acyl carrier protein 0.0053 0.0164 0.0362
Onchocerca volvulus 0.006 0.0205 0.0859
Brugia malayi AMP-binding enzyme family protein 0.0053 0.0164 0.0355
Mycobacterium ulcerans membrane protein ComEA 0.0171 0.0884 0.0732
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0095 0.0187
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0095 0.0187
Echinococcus multilocularis protein dispatched 1 0.0048 0.0131 0.026
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.034 0.0687
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0207 0.0453
Brugia malayi bHLH-PAS transcription factor 0.0074 0.0293 0.0641
Loa Loa (eye worm) hypothetical protein 0.0336 0.1888 0.4177
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H) 0.0322 0.1799 0.1662
Loa Loa (eye worm) hypothetical protein 0.0097 0.0432 0.0956
Echinococcus multilocularis protein patched 0.0042 0.0095 0.0187
Mycobacterium ulcerans formate hydrogenlyase HycD 0.0087 0.0368 0.0208
Loa Loa (eye worm) NADH-ubiquinone oxidoreductase 51 kDa subunit 0.0769 0.4521 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0164 0.0362
Echinococcus multilocularis tumor protein p63 0.0408 0.2324 0.4728
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0091 0.0196
Echinococcus multilocularis NADH dehydrogenase 0.0053 0.0164 0.0327
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0207 0.0453
Echinococcus granulosus NADH dehydrogenase ubiquinone flavoprotein 1 0.0769 0.4521 0.9201
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0207 0.0459
Schistosoma mansoni aryl hydrocarbon receptor 0.01 0.0451 0.0913
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.034 0.0687
Onchocerca volvulus NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial homolog 0.0412 0.2349 1
Echinococcus multilocularis NADH dehydrogenase (ubiquinone) flavoprotein 1 0.0769 0.4521 0.9201
Loa Loa (eye worm) NADH dehydrogenase subunit 1 0.0087 0.0368 0.0814
Schistosoma mansoni NADH dehydrogenase subunit 1 0.0087 0.0368 0.0743
Echinococcus granulosus NADH dehydrogenase 0.0053 0.0164 0.0327
Mycobacterium tuberculosis Proteasome alpha subunit PrcA; assembles with beta subunit PrcB. 0.1669 1 1
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.034 0.0687
Loa Loa (eye worm) acyl carrier protein 0.0053 0.0164 0.0362
Trichomonas vaginalis NADH-ubiquinone oxidoreductase flavoprotein, putative 0.0769 0.4521 1
Echinococcus granulosus expressed conserved protein 0.0091 0.0396 0.0801
Echinococcus multilocularis transfer RNA-Lys 0.0074 0.0293 0.059
Echinococcus multilocularis Acyl carrier protein, mitochondrial 0.0053 0.0164 0.0327
Toxoplasma gondii acyl carrier protein ACP 0.0053 0.0164 0.5
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial 0.0769 0.4521 1
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0053 0.0164 0.0362
Brugia malayi acyl carrier protein, mitochondrial precursor, putative 0.0053 0.0164 0.0355
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0053 0.0164 0.0355
Schistosoma mansoni hypothetical protein 0.004 0.0086 0.0168
Plasmodium falciparum acyl carrier protein 0.0053 0.0164 0.5
Onchocerca volvulus 0.0082 0.034 0.1438
Brugia malayi CHE-14 protein 0.0042 0.0095 0.0203
Treponema pallidum nitrogen fixation protein (rnfC) 0.0171 0.0884 1
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0053 0.0164 0.5
Onchocerca volvulus Fatty acid synthase homolog 0.0053 0.0164 0.0684
Brugia malayi PAS domain containing protein 0.01 0.0451 0.0992
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0003 0.0007
Brugia malayi hypothetical protein 0.0087 0.0368 0.0808
Onchocerca volvulus 0.0087 0.0368 0.1556
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0053 0.0164 0.0355
Loa Loa (eye worm) phosphopantetheine attachment site family protein 0.0053 0.0164 0.0362
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.0432 0.095
Onchocerca volvulus 0.0074 0.0293 0.1235
Schistosoma mansoni acyl carrier protein 0.0053 0.0164 0.0327
Mycobacterium ulcerans putative regulatory protein 0.0074 0.0293 0.0131
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.0432 0.0874
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0053 0.0164 0.5
Onchocerca volvulus 0.0053 0.0164 0.0684
Onchocerca volvulus 0.0053 0.0164 0.0684
Echinococcus granulosus AMP dependent ligase 0.0053 0.0164 0.0327
Trypanosoma brucei NADH dehydrogenase [ubiquinone] flavoprotein 1, mitochondrial, putative 0.0769 0.4521 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.4913 1
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.0432 0.0874
Brugia malayi NADH dehydrogenase subunit 1 0.0087 0.0368 0.0808
Schistosoma mansoni hypothetical protein 0.004 0.0086 0.0168
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase subunit H 0.0322 0.1799 0.3753
Schistosoma mansoni hypothetical protein 0.0053 0.0164 0.0327
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0769 0.4521 0.9201

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1995 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ] ChEMBL. No reference
Potency (functional) 22.3872 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) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (binding) = 44.6684 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) 56.2341 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 Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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