Detailed information for compound 834349

Basic information

Technical information
  • TDR Targets ID: 834349
  • Name: 2-(4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1, 2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylaceta mide
  • MW: 399.871 | Formula: C21H22ClN3O3
  • H donors: 0 H acceptors: 3 LogP: 4.62 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)OCC(=O)N(C(C)C)Cc1onc(n1)c1cccc(c1)C
  • InChi: 1S/C21H22ClN3O3/c1-14(2)25(20(26)13-27-18-9-7-17(22)8-10-18)12-19-23-21(24-28-19)16-6-4-5-15(3)11-16/h4-11,14H,12-13H2,1-3H3
  • InChiKey: YYQOAPMVTCCATB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-chlorophenoxy)-N-isopropyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
  • 2-(4-chlorophenoxy)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-ethanamide
  • STK300491

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
Loa Loa (eye worm) hypothetical protein 0.001 0.0067 0.0067
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.051 0.14
Entamoeba histolytica hypothetical protein 0.0035 0.0647 0.5
Schistosoma mansoni ferritin 0.0008 0.003 0.0083
Loa Loa (eye worm) hypothetical protein 0.001 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.001 0.0067 0.0067
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.044 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0067 0.0067
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0067 0.0067
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0067 0.0183
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0067 0.0067
Brugia malayi nuclear receptor NHR-88 0.001 0.0067 0.0067
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0067 0.0067
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0067 0.0067
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0214 0.4789 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0008 0.003 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0067 0.0183
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.044 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0067 0.0067
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.051 0.14
Schistosoma mansoni apoferritin-2 0.0008 0.003 0.0083
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.044 1 1
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.044 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0067 0.0067
Brugia malayi hypothetical protein 0.0035 0.0647 0.0647
Entamoeba histolytica hypothetical protein 0.0035 0.0647 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.051 0.051
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0067 0.0067
Schistosoma mansoni ferritin 0.0008 0.003 0.0083
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.044 1 0.5
Onchocerca volvulus 0.0048 0.095 0.1842
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.1893 0.1893
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0067 0.0067
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.095 0.2608
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0067 0.0067
Trichomonas vaginalis set domain proteins, putative 0.023 0.5154 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0067 0.0067
Echinococcus multilocularis tumor protein p63 0.0328 0.742 0.742
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0067 0.0183
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0067 0.0067
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.051 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.1893 0.5199
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0067 0.0067
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0067 0.0067
Echinococcus multilocularis expressed protein 0.0008 0.003 0.003
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0067 0.0067
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0067 0.0067
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.1893 0.1893
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.044 1 0.5
Brugia malayi nuclear hormone receptor 0.001 0.0067 0.0067
Schistosoma mansoni hypothetical protein 0.0165 0.3642 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0647 0.1777
Onchocerca volvulus 0.0029 0.051 0.0989
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0067 0.013
Loa Loa (eye worm) hypothetical protein 0.001 0.0067 0.0067
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.051 0.051
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0067 0.0067
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.001 0.0067 0.0067
Leishmania major S-adenosylmethionine decarboxylase 0.044 1 0.5
Schistosoma mansoni ferritin 0.0008 0.003 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0067 0.0067
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.044 1 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.051 0.14
Brugia malayi ecdysteroid receptor 0.001 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0029 0.051 0.051
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.1893 0.5199
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0067 0.0067
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0067 0.0067
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.1893 0.1893
Onchocerca volvulus 0.001 0.0067 0.013
Loa Loa (eye worm) hypothetical protein 0.001 0.0067 0.0067
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0067 0.0067
Schistosoma mansoni thyroid hormone receptor 0.001 0.0067 0.0183
Entamoeba histolytica hypothetical protein 0.0035 0.0647 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0067 0.0067
Echinococcus granulosus geminin 0.0165 0.3642 0.3642
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0008 0.003 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0067 0.0067
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.1893 0.5199
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0067 0.013
Schistosoma mansoni ferritin light chain 0.0008 0.003 0.0083
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.051 0.14
Echinococcus granulosus expressed protein 0.0008 0.003 0.003
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0067 0.0067
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.1893 0.1893
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0647 0.0647
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0067 0.0067
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0067 0.0067
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0647 0.0647
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0067 0.0067
Schistosoma mansoni hypothetical protein 0.0165 0.3642 1
Schistosoma mansoni thyroid hormone receptor 0.001 0.0067 0.0183
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0067 0.0183
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0067 0.0067
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0214 0.4789 0.5
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.044 1 0.5
Schistosoma mansoni apoferritin-2 0.0008 0.003 0.0083
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0067 0.0067
Echinococcus granulosus tumor protein p63 0.0328 0.742 0.742
Brugia malayi steroid hormone receptor 0.001 0.0067 0.0067
Mycobacterium ulcerans bacterioferritin BfrA 0.0008 0.003 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0067 0.0067
Mycobacterium ulcerans bacterioferritin BfrB 0.0008 0.003 0.5
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0008 0.003 0.5
Onchocerca volvulus 0.023 0.5154 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0067 0.0183
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0067 0.0183
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0067 0.0067
Schistosoma mansoni coup transcription factor 0.001 0.0067 0.0183
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0067 0.0183
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0067 0.0067
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0067 0.0183
Echinococcus granulosus FTZ F1 alpha 0.001 0.0067 0.0067
Echinococcus multilocularis ferritin 0.0008 0.003 0.003
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0067 0.0067
Brugia malayi Pre-SET motif family protein 0.0029 0.051 0.051
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0067 0.0067
Schistosoma mansoni nuclear hormone receptor 0.001 0.0067 0.0183
Loa Loa (eye worm) hypothetical protein 0.0048 0.095 0.095
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0067 0.0067
Echinococcus multilocularis geminin 0.0165 0.3642 0.3642
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.051 0.051
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0485 0.0485
Schistosoma mansoni ferritin 0.0008 0.003 0.0083
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0008 0.003 0.5
Treponema pallidum bacterioferrin (TpF1) 0.0008 0.003 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0647 0.5
Brugia malayi Pre-SET motif family protein 0.0202 0.4509 0.4509
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0067 0.013
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0067 0.0067
Schistosoma mansoni hypothetical protein 0.0035 0.0647 0.1777
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.4509 0.4509
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0067 0.0067
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0067 0.0067
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.1893 0.1893
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0067 0.0067
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0067 0.0183
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0067 0.0067
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0067 0.0067
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.1893 0.1893
Schistosoma mansoni ferritin light chain 0.0008 0.003 0.0083
Echinococcus granulosus ferritin 0.0008 0.003 0.003
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0067 0.0067

Activities

No activities found for this compound.

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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