Detailed information for compound 1063739

Basic information

Technical information
  • TDR Targets ID: 1063739
  • Name: 2-[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol -5-yl]-5-(phenylmethyl)-1,3,4-oxadiazole
  • MW: 349.383 | Formula: C20H19N3O3
  • H donors: 0 H acceptors: 2 LogP: 3.29 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C1=NOC(C1)(C)c1nnc(o1)Cc1ccccc1
  • InChi: 1S/C20H19N3O3/c1-20(13-17(23-26-20)15-8-10-16(24-2)11-9-15)19-22-21-18(25-19)12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3
  • InChiKey: WVCJAKCDJWLINL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-(4-methoxyphenyl)-5-methyl-4H-isoxazol-5-yl]-5-(phenylmethyl)-1,3,4-oxadiazole
  • 2-(benzyl)-5-[3-(4-methoxyphenyl)-5-methyl-4H-isoxazol-5-yl]-1,3,4-oxadiazole

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
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0179 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0267 0.0267
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0179 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0267 0.0326
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.088 0.8179 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0188 0.0732
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0014 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase I (chain H) NuoH (NADH-ubiquinone oxidoreductase chain H) 0.1072 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0267 0.0326
Schistosoma mansoni alpha-glucosidase 0.014 0.1161 0.1161
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0351 0.1362
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0179 1
Brugia malayi hypothetical protein 0.0025 0.0076 0.0294
Loa Loa (eye worm) hypothetical protein 0.0025 0.0076 0.0294
Schistosoma mansoni hypothetical protein 0.1072 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0179 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0179 1
Brugia malayi hypothetical protein 0.0289 0.2573 1
Mycobacterium ulcerans NADH dehydrogenase subunit H 0.1072 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0351 0.1362
Echinococcus multilocularis geminin 0.0184 0.1581 0.1933
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0179 0.0219
Onchocerca volvulus 0.0289 0.2573 1
Schistosoma mansoni hypothetical protein 0.0184 0.1581 0.1581
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0179 1
Schistosoma mansoni alpha-glucosidase 0.014 0.1161 0.1161
Brugia malayi NADH dehydrogenase subunit 1, identical 0.0289 0.2573 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0179 1
Schistosoma mansoni hypothetical protein 0.0184 0.1581 0.1581
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0076 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0179 1
Schistosoma mansoni alpha glucosidase 0.0036 0.0179 0.0179
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0267 0.1037
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0014 0.0055
Schistosoma mansoni ap endonuclease 0.0019 0.0014 0.0014
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0179 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0267 0.0267
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0076 0.373
Echinococcus granulosus lysosomal alpha glucosidase 0.0162 0.1375 0.1375
Echinococcus granulosus geminin 0.0184 0.1581 0.1581
Schistosoma mansoni ap endonuclease 0.0019 0.0014 0.0014
Loa Loa (eye worm) NADH dehydrogenase subunit 1 0.0289 0.2573 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.0958 0.3721
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0179 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0162 0.1375 0.5343
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0076 0.373
Brugia malayi Glycosyl hydrolases family 31 protein 0.0162 0.1375 0.5343
Brugia malayi NADH dehydrogenase subunit 1 0.0289 0.2573 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0179 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0179 0.0695
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0014 0.0017
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.1375 0.1681
Brugia malayi MH2 domain containing protein 0.0118 0.0958 0.3721
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.1375 0.1681
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0188 0.0732
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0267 0.1037
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0179 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0076 0.373
Wolbachia endosymbiont of Brugia malayi NADH dehydrogenase subunit H 0.1072 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0267 0.0267
Trypanosoma brucei glucosidase, putative 0.0036 0.0179 1
Mycobacterium ulcerans formate hydrogenlyase HycD 0.0289 0.2573 0.2563
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0179 0.0695
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0267 0.0267
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0179 1
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0179 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0076 0.373
Mycobacterium tuberculosis Possible formate hydrogenlyase HycD (FHL) 0.0289 0.2573 0.2563
Schistosoma mansoni NADH dehydrogenase subunit 1 0.0289 0.2573 0.2573
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.0958 0.3721
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0014 0.5
Leishmania major hypothetical protein, conserved 0.0025 0.0076 0.373
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0351 0.1362
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0179 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0267 0.0267
Onchocerca volvulus 0.0289 0.2573 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0014 0.0055
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0054 0.0351 0.1362
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0076 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0179 0.0179
Schistosoma mansoni hypothetical protein 0.0037 0.0188 0.0188
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0076 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) 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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