Detailed information for compound 1415527

Basic information

Technical information
  • TDR Targets ID: 1415527
  • Name: N'-[(2-fluorophenyl)methyl]-N-(2-thiophen-2-y l-2-thiophen-2-ylsulfonylethyl)oxamide
  • MW: 452.543 | Formula: C19H17FN2O4S3
  • H donors: 2 H acceptors: 4 LogP: 3.04 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(=O)NCc1ccccc1F)NCC(S(=O)(=O)c1cccs1)c1cccs1
  • InChi: 1S/C19H17FN2O4S3/c20-14-6-2-1-5-13(14)11-21-18(23)19(24)22-12-16(15-7-3-9-27-15)29(25,26)17-8-4-10-28-17/h1-10,16H,11-12H2,(H,21,23)(H,22,24)
  • InChiKey: MEVLWHLCZRPYLI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-[(2-fluorophenyl)methyl]-N-[2-(2-thienyl)-2-(2-thienylsulfonyl)ethyl]oxamide
  • N'-(2-fluorobenzyl)-N-[2-(2-thienyl)-2-(2-thienylsulfonyl)ethyl]oxamide
  • N'-[(2-fluorophenyl)methyl]-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonyl-ethyl)ethanediamide
  • G856-4553
  • NCGC00136313-01

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0093 0.1249 0.5
Trypanosoma cruzi cardiolipin synthetase, putative 0.0122 0.2246 0.5
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0329 0.0329
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0093 0.1249 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0093 0.1249 0.1105
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.0329 0.0329
Loa Loa (eye worm) hypothetical protein 0.0295 0.8094 1
Echinococcus granulosus phospholipase d3 0.0066 0.034 0.0181
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0158 0.3448 0.3448
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0093 0.1249 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0093 0.1249 1
Loa Loa (eye worm) hypothetical protein 0.0229 0.5848 0.7225
Loa Loa (eye worm) RNA binding protein 0.0066 0.0329 0.0407
Schistosoma mansoni hypothetical protein 0.0108 0.1754 0.1754
Echinococcus multilocularis phospholipase d3 0.0066 0.034 0.0181
Leishmania major phosphatidylglycerophosphate synthase, putative 0.0066 0.034 1
Trypanosoma cruzi cardiolipin synthetase, putative 0.0122 0.2246 0.5
Loa Loa (eye worm) TAR-binding protein 0.0066 0.0329 0.0407
Trypanosoma brucei cardiolipin synthetase, putative 0.0122 0.2246 1
Loa Loa (eye worm) hypothetical protein 0.0295 0.8094 1
Toxoplasma gondii phospholipase D active site domain-containing protein 0.0122 0.2246 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0329 0.0329
Echinococcus granulosus tar DNA binding protein 0.0066 0.0329 0.017
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0061 0.0162 0.5
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0093 0.1249 0.1105
Loa Loa (eye worm) phospholipase D 0.0066 0.034 0.042
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0329 0.0329
Trypanosoma brucei cardiolipin synthetase 0.0122 0.2246 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0093 0.1249 1
Echinococcus granulosus phospholipase D1 0.0351 1 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0329 0.0329
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0061 0.0162 0.5
Onchocerca volvulus Putative phospholipase D 0.0066 0.034 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0158 0.3448 0.426
Brugia malayi Calcitonin receptor-like protein seb-1 0.0158 0.3448 0.3448
Echinococcus granulosus phospholipase D 0.031 0.8611 0.8588
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0093 0.1249 1
Echinococcus multilocularis tar DNA binding protein 0.0066 0.0329 0.017
Loa Loa (eye worm) hypothetical protein 0.0066 0.034 0.042
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0093 0.1249 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.1754 0.2167
Brugia malayi Probable ClpP-like protease 0.0093 0.1249 0.1249
Loa Loa (eye worm) hypothetical protein 0.0093 0.1249 0.1543
Brugia malayi RNA binding protein 0.0066 0.0329 0.0329
Entamoeba histolytica phospholipase D, putative 0.0351 1 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0093 0.1249 0.1249
Entamoeba histolytica phospholipase D, putative 0.0351 1 1
Brugia malayi Phospholipase D. Active site motif family protein 0.0122 0.2246 0.2246
Schistosoma mansoni tar DNA-binding protein 0.0066 0.0329 0.0329
Brugia malayi TAR-binding protein 0.0066 0.0329 0.0329
Echinococcus multilocularis phospholipase D 0.031 0.8611 0.8588
Schistosoma mansoni phospholipase D 0.0351 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0108 0.1754 0.1754
Loa Loa (eye worm) hypothetical protein 0.0229 0.5848 0.7225
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0093 0.1249 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.0329 0.0407
Loa Loa (eye worm) hypothetical protein 0.0158 0.3448 0.426
Brugia malayi Phospholipase D. Active site motif family protein 0.0066 0.034 0.034
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0093 0.1249 0.5
Echinococcus multilocularis phospholipase D1 0.0351 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] 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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