Detailed information for compound 1235917

Basic information

Technical information
  • TDR Targets ID: 1235917
  • Name: 2-(3-methylphenoxy)-N-[4-(phenyl-(phenylmethy l)sulfamoyl)phenyl]acetamide
  • MW: 486.582 | Formula: C28H26N2O4S
  • H donors: 1 H acceptors: 3 LogP: 5.36 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)S(=O)(=O)N(c1ccccc1)Cc1ccccc1)COc1cccc(c1)C
  • InChi: 1S/C28H26N2O4S/c1-22-9-8-14-26(19-22)34-21-28(31)29-24-15-17-27(18-16-24)35(32,33)30(25-12-6-3-7-13-25)20-23-10-4-2-5-11-23/h2-19H,20-21H2,1H3,(H,29,31)
  • InChiKey: BTVSDWVZNJQJNE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-(benzyl-phenyl-sulfamoyl)phenyl]-2-(3-methylphenoxy)acetamide
  • 2-(3-methylphenoxy)-N-[4-(phenyl-(phenylmethyl)sulfamoyl)phenyl]ethanamide
  • D345-0444
  • NCGC00119142-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
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
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0247 0.0714 0.088
Echinococcus granulosus GPCR family 3 C terminal 0.0426 0.1271 0.123
Loa Loa (eye worm) hypothetical protein 0.0032 0.0045 0.0045
Onchocerca volvulus Poor gastrulation protein homolog 0.0426 0.1271 1
Echinococcus multilocularis GPCR, family 3, C terminal 0.0426 0.1271 0.123
Trypanosoma brucei cytochrome P450, putative 0.0042 0.0076 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0247 0.0714 0.067
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0047 0.0047
Echinococcus multilocularis nmda type glutamate receptor 0.0247 0.0714 0.067
Schistosoma mansoni hypothetical protein 0.005 0.0101 0.0059
Echinococcus multilocularis metabotropic glutamate receptor 2 0.2201 0.6787 0.6772
Loa Loa (eye worm) RGC/RGC protein kinase 0.0247 0.0714 0.0714
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.2536 0.271
Schistosoma mansoni glutamate receptor NMDA 0.0247 0.0714 0.0726
Loa Loa (eye worm) hypothetical protein 0.0426 0.1271 0.1271
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.2988 0.9232 1
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0426 0.1271 1
Schistosoma mansoni metabotropic glutamate receptor 0.1281 0.3926 0.4224
Loa Loa (eye worm) hypothetical protein 0.0673 0.2039 0.2039
Trypanosoma cruzi extracellular receptor, putative 0.0247 0.0714 1
Echinococcus granulosus glutamate receptor 2 0.0247 0.0714 0.067
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0673 0.2039 0.2039
Loa Loa (eye worm) hypothetical protein 0.0247 0.0714 0.0714
Echinococcus granulosus metabotropic glutamate receptor 2 0.2201 0.6787 0.6772
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0247 0.0714 0.067
Echinococcus granulosus receptor type guanylyl cyclase 0.0247 0.0714 0.067
Brugia malayi Cytochrome P450 family protein 0.0042 0.0076 0.0094
Loa Loa (eye worm) hypothetical protein 0.0247 0.0714 0.0714
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.2536 0.2501
Loa Loa (eye worm) hypothetical protein 0.0247 0.0714 0.0714
Schistosoma mansoni tyrosine kinase 0.0247 0.0714 0.0726
Echinococcus multilocularis glutamate receptor 2 0.0247 0.0714 0.067
Brugia malayi hypothetical protein 0.0247 0.0714 0.088
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0247 0.0714 0.067
Echinococcus multilocularis receptor type guanylyl cyclase 0.0247 0.0714 0.067
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0247 0.0714 0.067
Echinococcus multilocularis metabotropic glutamate receptor 5 0.3235 1 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.238 0.7345 0.9053
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0247 0.0714 0.067
Leishmania major extracellular receptor, putative 0.0247 0.0714 1
Onchocerca volvulus 0.0247 0.0714 0.5445
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0047 0.0047
Loa Loa (eye worm) CYP4Cod1 0.0042 0.0076 0.0076
Echinococcus granulosus nmda type glutamate receptor 0.0247 0.0714 0.067
Schistosoma mansoni hypothetical protein 0.0426 0.1271 0.1333
Brugia malayi Cytochrome P450 family protein 0.0042 0.0076 0.0094
Echinococcus granulosus atrial natriuretic peptide receptor 0.0247 0.0714 0.067
Echinococcus granulosus microtubule associated protein 2 0.0833 0.2536 0.2501
Echinococcus granulosus tyrosine kinase 0.0247 0.0714 0.067
Loa Loa (eye worm) hypothetical protein 0.0033 0.0047 0.0047
Loa Loa (eye worm) hypothetical protein 0.0247 0.0714 0.0714
Loa Loa (eye worm) cytochrome P450 family protein 0.0042 0.0076 0.0076
Echinococcus granulosus glutamate receptor 2 0.0247 0.0714 0.067
Echinococcus multilocularis tyrosine kinase 0.0247 0.0714 0.067
Brugia malayi Receptor family ligand binding region containing protein 0.0673 0.2039 0.2514
Brugia malayi Guanylyl cyclase protein 23 0.0247 0.0714 0.088
Brugia malayi Receptor family ligand binding region containing protein 0.0247 0.0714 0.088
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0426 0.1271 0.1567
Entamoeba histolytica hypothetical protein 0.0247 0.0714 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0247 0.0714 0.067
Loa Loa (eye worm) glutamate receptor 0.2627 0.8113 0.8113
Loa Loa (eye worm) hypothetical protein 0.0247 0.0714 0.0714
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0042 0.0076 0.5
Loa Loa (eye worm) glutamate receptor 0.1034 0.3159 0.3159
Loa Loa (eye worm) hypothetical protein 0.3235 1 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0247 0.0714 0.067
Echinococcus multilocularis glutamate receptor 2 0.0247 0.0714 0.067
Brugia malayi Metabotropic glutamate receptor precursor. 0.2627 0.8113 1
Loa Loa (eye worm) RGC/RGC protein kinase 0.0247 0.0714 0.0714
Loa Loa (eye worm) hypothetical protein 0.0247 0.0714 0.0714
Loa Loa (eye worm) hypothetical protein 0.0247 0.0714 0.0714
Loa Loa (eye worm) cytochrome P450 family protein 0.0042 0.0076 0.0076
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0247 0.0714 0.067
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0247 0.0714 0.067
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.0247 0.0714 0.5445
Schistosoma mansoni metabotropic glutamate receptor 0.2201 0.6787 0.7338
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0247 0.0714 0.0714
Schistosoma mansoni tyrosine kinase 0.0247 0.0714 0.0726
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0047 0.0058
Onchocerca volvulus 0.0247 0.0714 0.5445
Brugia malayi intermediate filament protein 0.0033 0.0047 0.0058
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0673 0.2039 0.2039
Schistosoma mansoni protein kinase 0.0247 0.0714 0.0726
Loa Loa (eye worm) RGC/RGC protein kinase 0.0247 0.0714 0.0714
Loa Loa (eye worm) hypothetical protein 0.003 0.0039 0.0039
Brugia malayi metabotropic glutamate receptor type 2 0.1281 0.3926 0.484

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 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) 79.4328 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) = 100 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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