Detailed information for compound 1588273

Basic information

Technical information
  • TDR Targets ID: 1588273
  • Name: ethyl 2-[[5-(2-methoxyphenyl)1,2-oxazole-3-ca rbonyl]amino]-4-phenylthiophene-3-carboxylate
  • MW: 448.491 | Formula: C24H20N2O5S
  • H donors: 1 H acceptors: 3 LogP: 5.58 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(scc1c1ccccc1)NC(=O)c1noc(c1)c1ccccc1OC
  • InChi: 1S/C24H20N2O5S/c1-3-30-24(28)21-17(15-9-5-4-6-10-15)14-32-23(21)25-22(27)18-13-20(31-26-18)16-11-7-8-12-19(16)29-2/h4-14H,3H2,1-2H3,(H,25,27)
  • InChiKey: PNIFOUHJPIFBNY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[[5-(2-methoxyphenyl)isoxazole-3-carbonyl]amino]-4-phenyl-thiophene-3-carboxylate
  • 2-[[[5-(2-methoxyphenyl)-3-isoxazolyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester
  • 2-[[5-(2-methoxyphenyl)isoxazole-3-carbonyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester
  • ethyl 2-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate
  • EU-0057193
  • MLS000580756
  • SMR000206142
  • ethyl 2-({[5-(2-methoxyphenyl)isoxazol-3-yl]carbonyl}amino)-4-phenylthiophene-3-carboxylate

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
Trypanosoma cruzi Aminopeptidase M1, putative 0.015 0.5 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.015 0.5 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.015 0.5 0.5
Brugia malayi hypothetical protein 0.015 0.5 0.5
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.015 0.5 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.015 0.5 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.015 0.5 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.015 0.5 0.5
Entamoeba histolytica aminopeptidase, putative 0.015 0.5 0.5
Mycobacterium ulcerans aminopeptidase N PepN 0.015 0.5 0.5
Loa Loa (eye worm) aminopeptidase N 0.015 0.5 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.015 0.5 0.5
Trypanosoma cruzi aminopeptidase, putative 0.015 0.5 0.5
Echinococcus granulosus aminopeptidase N 0.015 0.5 0.5
Onchocerca volvulus 0.015 0.5 0.5
Echinococcus multilocularis aminopeptidase N 0.015 0.5 0.5
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.015 0.5 0.5
Onchocerca volvulus 0.015 0.5 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.015 0.5 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.015 0.5 0.5
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.015 0.5 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.015 0.5 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.015 0.5 0.5
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.015 0.5 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.015 0.5 0.5
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.015 0.5 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.015 0.5 0.5
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.015 0.5 0.5
Brugia malayi Peptidase family M1 containing protein 0.015 0.5 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.015 0.5 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.015 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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