Detailed information for compound 1550738

Basic information

Technical information
  • TDR Targets ID: 1550738
  • Name: [2-(methyl-phenylamino)-2-oxoethyl] 5-methyl- 3-phenyl-1,2-oxazole-4-carboxylate
  • MW: 350.368 | Formula: C20H18N2O4
  • H donors: 0 H acceptors: 3 LogP: 3.37 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(c1ccccc1)C(=O)COC(=O)c1c(C)onc1c1ccccc1
  • InChi: 1S/C20H18N2O4/c1-14-18(19(21-26-14)15-9-5-3-6-10-15)20(24)25-13-17(23)22(2)16-11-7-4-8-12-16/h3-12H,13H2,1-2H3
  • InChiKey: DFUWWJYSIUUZJI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(methyl-phenyl-amino)-2-oxo-ethyl] 5-methyl-3-phenyl-isoxazole-4-carboxylate
  • 5-methyl-3-phenyl-4-isoxazolecarboxylic acid [2-(methyl-phenylamino)-2-oxoethyl] ester
  • 5-methyl-3-phenyl-isoxazole-4-carboxylic acid [2-keto-2-(methyl-phenyl-amino)ethyl] ester
  • [2-(methyl-phenyl-amino)-2-oxo-ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
  • T5499374

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0397 0.0397
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0397 0.0397
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.093 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.093 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0397 0.0397
Trichomonas vaginalis aldo-keto reductase, putative 0.093 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.093 1 1
Onchocerca volvulus Bile acid receptor homolog 0.004 0.0234 0.0234
Echinococcus granulosus aldo keto reductase family 1 member B4 0.093 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.093 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 0.0234 0.0234
Schistosoma mansoni aldo-keto reductase 0.093 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.004 0.0234 0.0234
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0451 0.0451
Loa Loa (eye worm) hypothetical protein 0.0098 0.087 0.087
Echinococcus multilocularis cdgsh iron sulfur domain containing protein 0.0231 0.233 0.233
Plasmodium falciparum aldehyde reductase, putative 0.0269 0.2748 0.5
Echinococcus granulosus aldo keto reductase 0.093 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.093 1 1
Toxoplasma gondii aldose reductase, putative 0.093 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.093 1 1
Echinococcus granulosus aldehyde reductase 0.0661 0.7043 0.7043
Echinococcus multilocularis aldo keto reductase 0.093 1 1
Echinococcus granulosus muscleblind protein 0.015 0.144 0.144
Brugia malayi Nuclear hormone receptor family member nhr-49 0.004 0.0234 0.0234
Onchocerca volvulus 0.0269 0.2748 0.2748
Trichomonas vaginalis aldo-keto reductase, putative 0.093 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.004 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.004 0.0234 0.0234
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0269 0.2748 0.2748
Echinococcus granulosus aldo keto reductase family 1 member B4 0.093 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.004 0.0234 0.0234
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.093 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.004 0.0234 0.0234
Brugia malayi nuclear hormone receptor 0.004 0.0234 0.0234
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0021 0.0025 0.0025
Loa Loa (eye worm) oxidoreductase 0.093 1 1
Loa Loa (eye worm) oxidoreductase 0.093 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.093 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.004 0.0234 0.0234
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 0.0234 0.0234
Trichomonas vaginalis aldo-keto reductase, putative 0.093 1 1
Entamoeba histolytica aldose reductase, putative 0.093 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.004 0.0234 0.0234
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.093 1 1
Echinococcus granulosus cdgsh iron sulfur domain containing protein 0.0231 0.233 0.233
Onchocerca volvulus 0.093 1 1
Echinococcus granulosus FTZ F1 alpha 0.004 0.0234 0.0234
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.093 1 1
Brugia malayi hypothetical protein 0.0021 0.0025 0.0025
Schistosoma mansoni thyroid hormone receptor 0.004 0.0234 0.0234
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0451 0.0451
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 0.0234 0.0234
Schistosoma mansoni thyroid hormone receptor 0.004 0.0234 0.0234
Mycobacterium leprae Conserved hypothetical protein 0.0661 0.7043 0.5922
Mycobacterium ulcerans oxidoreductase 0.093 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 0.0234 0.0234
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.004 0.0234 0.0234
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.093 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.004 0.0234 0.0234
Brugia malayi Nuclear hormone receptor family member nhr-40 0.004 0.0234 0.0234
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1373 0.1373
Trichomonas vaginalis aldo-keto reductase, putative 0.093 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.004 0.0234 0.0234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.004 0.0234 0.0234
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.004 0.0234 0.0234
Brugia malayi hypothetical protein 0.0021 0.0025 0.0025
Trichomonas vaginalis aldo-keto reductase, putative 0.093 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.093 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.093 1 1
Schistosoma mansoni CDGSH-type Zn finger-containing protein-like protein 0.0245 0.2483 0.2483
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 0.0234 0.0234
Echinococcus granulosus aldo keto reductase family 1 member B4 0.093 1 1
Trypanosoma cruzi aldo-keto reductase 0.093 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.093 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0025 0.0025
Onchocerca volvulus Protein ultraspiracle homolog 0.004 0.0234 0.0234
Brugia malayi Nuclear hormone receptor family member nhr-41 0.004 0.0234 0.0234
Onchocerca volvulus 0.093 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0242 0.0242
Loa Loa (eye worm) hypothetical protein 0.0021 0.0025 0.0025
Echinococcus multilocularis FTZ F1 alpha 0.004 0.0234 0.0234
Brugia malayi Uncharacterized hematopoietic stem/progenitor cells protein MDS029 0.0098 0.087 0.087
Echinococcus granulosus voltage gated potassium channel subunit 0.0269 0.2748 0.2748
Loa Loa (eye worm) steroid hormone receptor 0.004 0.0234 0.0234
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.004 0.0234 0.0234
Schistosoma mansoni coup transcription factor 0.004 0.0234 0.0234
Echinococcus multilocularis geminin 0.0205 0.2036 0.2036
Onchocerca volvulus 0.093 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.093 1 1
Onchocerca volvulus 0.093 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.093 1 1
Entamoeba histolytica aldose reductase, putative 0.093 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.0234 0.0234
Echinococcus granulosus hypothetical protein 0.093 1 1
Onchocerca volvulus 0.093 1 1
Brugia malayi Steroid receptor seven-up type 2 0.004 0.0234 0.0234
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0397 0.0397
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.0234 0.0234
Echinococcus granulosus aldo keto reductase family 1 member B4 0.093 1 1
Loa Loa (eye worm) hypothetical protein 0.015 0.144 0.144
Loa Loa (eye worm) hypothetical protein 0.0021 0.0025 0.0025
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.093 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.004 0.0234 0.0234
Trichomonas vaginalis aldo-keto reductase, putative 0.093 1 1
Leishmania major aldo-keto reductase-like protein 0.093 1 1
Echinococcus multilocularis muscleblind protein 1 0.015 0.144 0.144
Trichomonas vaginalis aldo/keto reductase, putative 0.093 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.004 0.0234 0.0234
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.0234 0.0234
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 0.0234 0.0234
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.004 0.0234 0.0234
Trypanosoma cruzi aldo/keto reductase, putative 0.093 1 1
Loa Loa (eye worm) oxidoreductase 0.093 1 1
Echinococcus multilocularis aldo keto reductase 0.093 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0234 0.0234
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0021 0.0025 0.0025
Brugia malayi NADH-dependent xylose reductase 0.0269 0.2748 0.2748
Loa Loa (eye worm) oxidoreductase 0.093 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0021 0.0025 0.0025
Brugia malayi Nuclear hormone receptor family member nhr-1 0.004 0.0234 0.0234
Echinococcus multilocularis thyroid hormone receptor alpha 0.004 0.0234 0.0234
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0397 0.0397
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.004 0.0234 0.0234
Onchocerca volvulus 0.004 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.004 0.0234 0.0234
Onchocerca volvulus 0.093 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.093 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.004 0.0234 0.0234
Schistosoma mansoni pol-related 0.093 1 1
Brugia malayi nuclear receptor NHR-88 0.004 0.0234 0.0234
Echinococcus granulosus aldo keto reductase 0.093 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.004 0.0234 0.0234
Echinococcus granulosus geminin 0.0205 0.2036 0.2036
Trichomonas vaginalis aldo/keto reductase, putative 0.093 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.2036 0.2036
Brugia malayi steroid hormone receptor 0.004 0.0234 0.0234
Schistosoma mansoni nuclear hormone receptor 0.004 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.004 0.0234 0.0234
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.093 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.004 0.0234 0.0234
Leishmania major prostaglandin f synthase, putative 0.093 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0397 0.0397
Brugia malayi nuclear receptor RXR 0.0021 0.0025 0.0025
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0269 0.2748 0.5
Plasmodium falciparum aldo-keto reductase, putative 0.0269 0.2748 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0021 0.0025 0.0025
Echinococcus granulosus aldo keto reductase 0.093 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0025 0.0025
Echinococcus multilocularis aldo keto reductase 0.093 1 1
Echinococcus multilocularis aldehyde reductase 0.0661 0.7043 0.7043
Schistosoma mansoni hypothetical protein 0.0245 0.2483 0.2483
Trypanosoma brucei prostaglandin f synthase 0.093 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0242 0.0242
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0451 0.0451
Trypanosoma brucei aldo-keto reductase, putative 0.093 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.093 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.2036 0.2036
Brugia malayi MH2 domain containing protein 0.0144 0.1373 0.1373
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.093 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.093 1 1
Loa Loa (eye worm) hypothetical protein 0.093 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.004 0.0234 0.0234
Echinococcus multilocularis aldo keto reductase 0.093 1 1
Schistosoma mansoni hypothetical protein 0.0041 0.0242 0.0242
Echinococcus granulosus aldo keto reductase family 1 member B4 0.093 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0025 0.0025
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.004 0.0234 0.0234
Loa Loa (eye worm) oxidoreductase 0.093 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.004 0.0234 0.0234
Echinococcus granulosus aldo keto reductase family 1 member B4 0.093 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1373 0.1373
Giardia lamblia Aldose reductase 0.093 1 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0234 0.0234
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0397 0.0397
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.004 0.0234 0.0234
Schistosoma mansoni aldo-keto reductase 0.093 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0021 0.0025 0.0025
Trichomonas vaginalis aldo/keto reductase, putative 0.093 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.093 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.093 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.093 1 1
Giardia lamblia Aldose reductase 0.093 1 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.004 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.006 0.0451 0.0451
Brugia malayi Muscleblind-like protein 0.015 0.144 0.144
Echinococcus multilocularis voltage gated potassium channel subunit 0.0269 0.2748 0.2748
Brugia malayi photoreceptor-specific nuclear receptor 0.004 0.0234 0.0234
Plasmodium vivax aldehyde reductase, putative 0.0269 0.2748 0.5
Loa Loa (eye worm) hypothetical protein 0.015 0.144 0.144
Schistosoma mansoni potassium channel beta 0.0269 0.2748 0.2748
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.004 0.0234 0.0234
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.093 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0397 0.0397
Onchocerca volvulus 0.0098 0.087 0.087
Echinococcus multilocularis muscleblind protein 0.015 0.144 0.144
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.0234 0.0234
Schistosoma mansoni retinoid-x-receptor (RXR) 0.004 0.0234 0.0234
Brugia malayi ecdysteroid receptor 0.004 0.0234 0.0234
Echinococcus granulosus retinoic acid receptor rxr beta a 0.004 0.0234 0.0234
Schistosoma mansoni retinoic acid receptor RXR 0.004 0.0234 0.0234
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.004 0.0234 0.0234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.004 0.0234 0.0234
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0397 0.0397
Brugia malayi Nuclear hormone receptor family member nhr-3 0.004 0.0234 0.0234
Echinococcus granulosus aldo keto reductase family 1 member B4 0.093 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0269 0.2748 0.2748
Loa Loa (eye worm) hypothetical protein 0.004 0.0234 0.0234
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.093 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.093 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0269 0.2748 0.2748
Entamoeba histolytica aldose reductase, putative 0.093 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.004 0.0234 0.0234
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.093 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.004 0.0234 0.0234
Loa Loa (eye worm) hypothetical protein 0.0021 0.0025 0.0025

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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

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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