Detailed information for compound 1414927

Basic information

Technical information
  • TDR Targets ID: 1414927
  • Name: 2-(4-ethoxyphenyl)-N-[2-(4-fluoro-3-methylphe nyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
  • MW: 461.569 | Formula: C23H24FNO4S2
  • H donors: 1 H acceptors: 3 LogP: 4.12 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)CC(=O)NCC(S(=O)(=O)c1ccc(c(c1)C)F)c1cccs1
  • InChi: 1S/C23H24FNO4S2/c1-3-29-18-8-6-17(7-9-18)14-23(26)25-15-22(21-5-4-12-30-21)31(27,28)19-10-11-20(24)16(2)13-19/h4-13,22H,3,14-15H2,1-2H3,(H,25,26)
  • InChiKey: QQWCYBRXCULIKS-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(4-ethoxyphenyl)-N-[2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-(2-thienyl)ethyl]acetamide
  • 2-(4-ethoxyphenyl)-N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-(2-thienyl)ethyl]acetamide
  • 2-(4-ethoxyphenyl)-N-[2-(4-fluoro-3-methyl-phenyl)sulfonyl-2-thiophen-2-yl-ethyl]ethanamide
  • G509-0156
  • NCGC00131555-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Echinococcus granulosus cytoplasmic intermediate filament protein 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
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
Schistosoma mansoni lamin 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
Echinococcus granulosus lamin dm0 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
Brugia malayi Intermediate filament tail domain containing protein 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 Lamin-C, putative 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 Intermediate filament protein ifa-1, putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus 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
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed 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

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 multilocularis lamin dm0 0.0033 0.0478 0.0772
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0478 0.0468
Schistosoma mansoni intermediate filament proteins 0.0033 0.0478 0.1044
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0031 0.0443 0.0694
Schistosoma mansoni high voltage-activated calcium channel beta subunit 2 0.0165 0.458 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0021 0.0135 0.0295
Echinococcus granulosus high voltage activated calcium channel beta 0.0165 0.458 1
Echinococcus granulosus intermediate filament protein 0.0033 0.0478 0.0772
Echinococcus multilocularis high voltage activated calcium channel beta 0.0165 0.458 1
Schistosoma mansoni voltage-gated potassium channel 0.0031 0.0443 0.0968
Schistosoma mansoni voltage-gated potassium channel 0.0118 0.3135 0.6845
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0021 0.0135 0.0125
Schistosoma mansoni voltage-gated potassium channel 0.0031 0.0443 0.0968
Loa Loa (eye worm) voltage-dependent calcium channel beta 2a subunit 0.034 1 1
Echinococcus multilocularis musashi 0.0033 0.0478 0.0772
Echinococcus granulosus lamin 0.0033 0.0478 0.0772
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0478 0.0468
Echinococcus granulosus lamin dm0 0.0033 0.0478 0.0772
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0021 0.0135 0.0295
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0101 0.2606 1
Schistosoma mansoni voltage-gated potassium channel 0.0021 0.0135 0.0295
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0021 0.0135 0.0125
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0109 0.2827 0.2819
Loa Loa (eye worm) hypothetical protein 0.0031 0.0443 0.0433
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0109 0.2827 0.6056
Schistosoma mansoni lamin 0.0033 0.0478 0.1044
Loa Loa (eye worm) hypothetical protein 0.0032 0.046 0.045
Loa Loa (eye worm) hypothetical protein 0.0094 0.2384 0.2376
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0031 0.0443 0.0433
Echinococcus multilocularis voltage gated potassium channel 0.0031 0.0443 0.0694
Schistosoma mansoni voltage-gated potassium channel 0.0118 0.3135 0.6845
Onchocerca volvulus 0.0033 0.0478 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0031 0.0443 0.0694
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0021 0.0135 0.0295
Loa Loa (eye worm) hypothetical protein 0.0033 0.0478 0.0468
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0021 0.0135 0.0295
Schistosoma mansoni lamin 0.0033 0.0478 0.1044
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0101 0.2606 1
Brugia malayi intermediate filament protein 0.0033 0.0478 0.0468
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0109 0.2827 0.2819
Loa Loa (eye worm) hypothetical protein 0.0021 0.0135 0.0125
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0109 0.2827 0.6056
Echinococcus multilocularis lamin 0.0033 0.0478 0.0772
Onchocerca volvulus 0.0033 0.0478 0.5
Brugia malayi Cyclic-nucleotide gated cation channel 0.0021 0.0135 0.0125
Echinococcus granulosus voltage gated potassium channel 0.0031 0.0443 0.0694
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0478 0.0468
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0021 0.0135 0.0295

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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