Detailed information for compound 1413370

Basic information

Technical information
  • TDR Targets ID: 1413370
  • Name: 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]su lfanyl]-N-(2-propan-2-ylphenyl)acetamide
  • MW: 383.464 | Formula: C20H21N3O3S
  • H donors: 1 H acceptors: 3 LogP: 4.13 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1C(C)C)CSc1nnc(o1)COc1ccccc1
  • InChi: 1S/C20H21N3O3S/c1-14(2)16-10-6-7-11-17(16)21-18(24)13-27-20-23-22-19(26-20)12-25-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)
  • InChiKey: ZUKUXHVDAOXWFK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-isopropylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
  • N-(2-isopropylphenyl)-2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
  • 2-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)ethanamide
  • STK015040
  • ZINC02429126
  • NCGC00100130-01
  • EU-0013363

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Plasmodium falciparum basic transcription factor 3b, putative 0.004 0.2044 0.5
Echinococcus granulosus tar DNA binding protein 0.0076 0.4385 0.4385
Schistosoma mansoni hypothetical protein 0.0164 1 1
Brugia malayi RNA binding protein 0.0076 0.4385 0.6358
Schistosoma mansoni hypothetical protein 0.0164 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4385 0.4385
Toxoplasma gondii NAC domain-containing protein 0.004 0.2044 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4385 0.4385
Trypanosoma cruzi transcription factor btf3, putative 0.004 0.2044 0.5
Trichomonas vaginalis conserved hypothetical protein 0.004 0.2044 0.5
Schistosoma mansoni transcription factor btf3 0.004 0.2044 0.2044
Brugia malayi TAR-binding protein 0.0076 0.4385 0.6358
Echinococcus multilocularis transcription factor btf3 0.004 0.2044 0.2044
Trichomonas vaginalis conserved hypothetical protein 0.004 0.2044 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4385 0.4385
Plasmodium vivax basic transcription factor 3b, putative 0.004 0.2044 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.6896 1
Entamoeba histolytica transcription factor BTF3, putative 0.004 0.2044 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4385 0.4385
Entamoeba histolytica hypothetical protein 0.004 0.2044 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4385 0.6358
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4385 0.6358
Trichomonas vaginalis conserved hypothetical protein 0.004 0.2044 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4385 0.6358
Echinococcus granulosus transcription factor btf3 0.004 0.2044 0.2044
Brugia malayi MH2 domain containing protein 0.0116 0.6896 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4385 0.4385
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.6896 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4385 0.4385
Echinococcus multilocularis geminin 0.0164 1 1
Brugia malayi beta-NAC-like protein 0.004 0.2044 0.2964
Trypanosoma brucei transcription factor BTF3, putative 0.004 0.2044 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.4385 0.6358
Trypanosoma cruzi transcription factor btf3, putative 0.004 0.2044 0.5
Schistosoma mansoni hypothetical protein 0.0109 0.6472 0.6472
Loa Loa (eye worm) ICD-1 protein 0.004 0.2044 0.2964
Leishmania major basic transcription factor 3a, putative 0.004 0.2044 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) 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
Potency (functional) 100 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

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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