Detailed information for compound 1389277

Basic information

Technical information
  • TDR Targets ID: 1389277
  • Name: N-acetyl-N-[(4-butoxy-3-chlorophenyl)methoxy] acetamide
  • MW: 313.777 | Formula: C15H20ClNO4
  • H donors: 0 H acceptors: 2 LogP: 2.89 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1ccc(cc1Cl)CON(C(=O)C)C(=O)C
  • InChi: 1S/C15H20ClNO4/c1-4-5-8-20-15-7-6-13(9-14(15)16)10-21-17(11(2)18)12(3)19/h6-7,9H,4-5,8,10H2,1-3H3
  • InChiKey: BONVNGMACFNHIK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-acetyl-N-[(4-butoxy-3-chloro-phenyl)methoxy]acetamide
  • N-acetyl-N-(4-butoxy-3-chloro-benzyl)oxy-acetamide
  • N-[(4-butoxy-3-chloro-phenyl)methoxy]-N-ethanoyl-ethanamide
  • N-Acetyl-N-(4-butoxy-3-chloro-benzyloxy)-acetamide
  • SMR000416128
  • MLS000779427
  • ZINC04856655
  • STOCK2S-35742

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens ATM serine/threonine kinase 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
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania braziliensis phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus granulosus serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase Get druggable targets OG5_128955 All targets in OG5_128955
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei gambiense phosphatidylinositol kinase domain protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Entamoeba histolytica hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum ko:K04728 ataxia telangectasia mutated family protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania donovani phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Toxoplasma gondii FATC domain-containing protein Get druggable targets OG5_128955 All targets in OG5_128955
Candida albicans similar to putative phosphatidylinositol kinase involved in telomere length regulation Get druggable targets OG5_128955 All targets in OG5_128955
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania mexicana phosphatidylinositol 3-kinase-like protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma mansoni ataxia telangiectasia mutated (atm) Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania major phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128955 All targets in OG5_128955
Leishmania infantum phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Echinococcus multilocularis serine protein kinase ATM Get druggable targets OG5_128955 All targets in OG5_128955
Trypanosoma brucei phosphatidylinositol kinase related protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Schistosoma japonicum IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing Get druggable targets OG5_128955 All targets in OG5_128955
Neospora caninum phosphatidylinositol 3- and 4-kinase domain- containing protein, putative Get druggable targets OG5_128955 All targets in OG5_128955
Trichomonas vaginalis PIKK family atypical protein kinase Get druggable targets OG5_128955 All targets in OG5_128955
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 granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0587 0.1197
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0105 0.012
Onchocerca volvulus 0.0053 0.127 0.0677
Brugia malayi Pre-SET motif family protein 0.0251 0.87 1
Entamoeba histolytica hypothetical protein 0.0023 0.0156 0.1675
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0026 0.0253 0.4849
Brugia malayi plexin A 0.015 0.4903 0.5636
Schistosoma mansoni plexin 0.0127 0.4034 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0105 0.012
Schistosoma mansoni plexin 0.0074 0.205 0.5083
Brugia malayi Probable exocyst complex component Sec5 0.0023 0.0156 0.0179
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0637 0.1299
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0156 0.0052
Loa Loa (eye worm) hypothetical protein 0.006 0.1541 0.1772
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0022 0.0105 0.0213
Entamoeba histolytica protein kinase domain containing protein 0.0029 0.0388 0.928
Loa Loa (eye worm) phosphatidylinositol 3 0.0022 0.0105 0.012
Brugia malayi hypothetical protein 0.0053 0.127 0.146
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.003 0.041 1
Echinococcus multilocularis hypothetical protein 0.0053 0.127 0.2591
Loa Loa (eye worm) hypothetical protein 0.0023 0.0156 0.0179
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0637 1
Brugia malayi hypothetical protein 0.0053 0.127 0.146
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.003 0.041 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0156 0.0179
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0023 0.0156 0.0052
Schistosoma mansoni hypothetical protein 0.0023 0.0156 0.0386
Echinococcus multilocularis serine protein kinase ATM 0.003 0.041 0.0836
Echinococcus multilocularis exocyst complex component 2 0.0023 0.0156 0.0318
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.87 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0156 0.0179
Loa Loa (eye worm) hypothetical protein 0.0053 0.127 0.146
Loa Loa (eye worm) hypothetical protein 0.0074 0.205 0.2357
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0023 0.0156 0.0052
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.003 0.041 0.0471
Echinococcus granulosus semaphorin 1A 0.0053 0.127 0.2591
Leishmania major phosphatidylinositol kinase related protein, putative 0.0022 0.0106 1
Schistosoma mansoni fibrocystin l 0.0023 0.0156 0.0386
Echinococcus granulosus transcription factor collier 0.0023 0.0156 0.0318
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0023 0.0156 0.0052
Brugia malayi Plexin repeat family protein 0.0127 0.4034 0.4637
Loa Loa (eye worm) sema domain-containing protein 0.0053 0.127 0.146
Echinococcus multilocularis plexin a4 0.015 0.4903 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1541 0.1772
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.041 0.0309
Echinococcus granulosus plexin a4 0.015 0.4903 1
Schistosoma mansoni semaphorin 5-related 0.0053 0.127 0.3149
Loa Loa (eye worm) hypothetical protein 0.0041 0.0828 0.0952
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0022 0.0105 0.0213
Loa Loa (eye worm) hypothetical protein 0.0036 0.0637 0.0732
Loa Loa (eye worm) hypothetical protein 0.0023 0.0156 0.0179
Loa Loa (eye worm) hypothetical protein 0.0026 0.0253 0.029
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0828 0.0952
Schistosoma mansoni hypothetical protein 0.0053 0.127 0.3149
Schistosoma mansoni hypothetical protein 0.0041 0.0828 0.2052
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0156 0.0052
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0022 0.0105 0.0213
Echinococcus granulosus serine protein kinase ATM 0.003 0.041 0.0836
Entamoeba histolytica hypothetical protein 0.0023 0.0156 0.1675
Schistosoma mansoni hypothetical protein 0.0053 0.127 0.3149
Echinococcus granulosus semaphorin 5B 0.0053 0.127 0.2591
Loa Loa (eye worm) hypothetical protein 0.0127 0.4034 0.4637
Loa Loa (eye worm) sema domain-containing protein 0.0053 0.127 0.146
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0637 0.1299
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0022 0.0105 0.0213
Schistosoma mansoni hypothetical protein 0.0023 0.0156 0.0386
Echinococcus granulosus exocyst complex component 2 0.0023 0.0156 0.0318
Echinococcus multilocularis semaphorin 5B 0.0053 0.127 0.2591
Giardia lamblia GTOR 0.0022 0.0105 0.5
Entamoeba histolytica cell surface protease gp63, putative 0.0023 0.0156 0.1675
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0106 0.0052
Onchocerca volvulus 0.0127 0.4034 0.3628
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0023 0.0156 0.0052
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0637 0.1578
Schistosoma mansoni hypothetical protein 0.0074 0.205 0.5083
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.003 0.041 0.1017
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0156 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0156 0.0052
Brugia malayi IPT/TIG domain containing protein 0.0023 0.0156 0.0179
Loa Loa (eye worm) hypothetical protein 0.0053 0.127 0.146
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0156 0.0052
Loa Loa (eye worm) hypothetical protein 0.0053 0.127 0.146
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0022 0.0105 0.0259
Loa Loa (eye worm) hypothetical protein 0.0053 0.127 0.146
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1541 0.1772
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0023 0.0156 0.0052
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0156 0.0052
Entamoeba histolytica hypothetical protein 0.0023 0.0156 0.1675
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0022 0.0105 0.012
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0637 0.1578
Loa Loa (eye worm) hypothetical protein 0.0053 0.127 0.146
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0022 0.0105 0.0259
Entamoeba histolytica tyrosin kinase, putative 0.0029 0.0388 0.928
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1541 0.1772
Brugia malayi Sema domain containing protein 0.0053 0.127 0.146
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0637 0.1578
Loa Loa (eye worm) plexin A 0.015 0.4903 0.5636
Brugia malayi Pre-SET motif family protein 0.0036 0.0637 0.0732
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0156 0.0052
Toxoplasma gondii FATC domain-containing protein 0.003 0.041 0.5741
Entamoeba histolytica hypothetical protein 0.003 0.041 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0637 0.1299
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0637 0.1578
Loa Loa (eye worm) hypothetical protein 0.0053 0.127 0.146
Brugia malayi Sema domain containing protein 0.0053 0.127 0.146
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Brugia malayi DNA-binding protein LAG-1 0.0023 0.0156 0.0179
Echinococcus multilocularis transcription factor collier 0.0023 0.0156 0.0318
Plasmodium vivax SET domain protein, putative 0.0036 0.0637 0.5
Entamoeba histolytica hypothetical protein 0.0023 0.0156 0.1675

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.7079 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying a Potential Treatment of Ataxia-Telangiectasia. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.0999 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) 26.8545 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) 29.0929 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) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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