Detailed information for compound 1370504

Basic information

Technical information
  • TDR Targets ID: 1370504
  • Name: ethyl 2-[6-[4-(furan-2-carbonyl)piperazin-1-y l]sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
  • MW: 463.461 | Formula: C20H21N3O8S
  • H donors: 0 H acceptors: 5 LogP: 1.09 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)Cn1c(=O)oc2c1ccc(c2)S(=O)(=O)N1CCN(CC1)C(=O)c1ccco1
  • InChi: 1S/C20H21N3O8S/c1-2-29-18(24)13-23-15-6-5-14(12-17(15)31-20(23)26)32(27,28)22-9-7-21(8-10-22)19(25)16-4-3-11-30-16/h3-6,11-12H,2,7-10,13H2,1H3
  • InChiKey: PWWYZJUDSLCYGI-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[6-[[4-(2-furyl-oxomethyl)-1-piperazinyl]sulfonyl]-2-oxo-1,3-benzoxazol-3-yl]acetic acid ethyl ester
  • 2-[6-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-2-keto-1,3-benzoxazol-3-yl]acetic acid ethyl ester
  • ethyl 2-[6-(4-furan-2-ylcarbonylpiperazin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]ethanoate
  • MLS000521910
  • SMR000132318

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723

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
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0042 0.0471 0.3875
Brugia malayi photoreceptor-specific nuclear receptor 0.0057 0.0758 0.0758
Loa Loa (eye worm) hypothetical protein 0.0042 0.0471 0.0471
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0057 0.0758 0.0758
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0057 0.0758 1
Echinococcus multilocularis FTZ F1 alpha 0.0057 0.0758 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0057 0.0758 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0758 0.0758
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0057 0.0758 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0057 0.0758 0.0758
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0057 0.0758 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0471 0.0471
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0057 0.0758 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0758 0.0758
Brugia malayi intermediate filament protein 0.0033 0.0289 0.0289
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0057 0.0758 0.0758
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0057 0.0758 0.0483
Loa Loa (eye worm) hypothetical protein 0.0032 0.0278 0.0278
Echinococcus multilocularis thyroid hormone receptor alpha 0.0057 0.0758 1
Loa Loa (eye worm) hypothetical protein 0.054 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0057 0.0758 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0042 0.0471 0.3875
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 0.0758 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0057 0.0758 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0057 0.0758 0.0758
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0057 0.0758 1
Onchocerca volvulus Bile acid receptor homolog 0.054 1 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0758 0.0758
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0057 0.0758 0.0758
Onchocerca volvulus Protein ultraspiracle homolog 0.0057 0.0758 0.0483
Loa Loa (eye worm) hypothetical protein 0.0033 0.0289 0.0289
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0289 0.0289
Schistosoma mansoni steroid hormone receptor ad4bp 0.0057 0.0758 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0057 0.0758 0.0758
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0289 0.0289
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0057 0.0758 0.0758
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0057 0.0758 0.0758
Echinococcus granulosus FTZ F1 alpha 0.0057 0.0758 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0057 0.0758 0.0758
Brugia malayi Nuclear hormone receptor-like 1 0.0057 0.0758 0.0758
Schistosoma mansoni coup transcription factor 0.0057 0.0758 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0057 0.0758 0.0758
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0057 0.0758 1
Brugia malayi Nuclear hormone receptor-like 1 0.0042 0.0471 0.0471
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0057 0.0758 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0289 0.0289
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0057 0.0758 0.0758
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0057 0.0758 0.0758
Brugia malayi nuclear receptor RXR 0.0042 0.0471 0.0471
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0057 0.0758 0.0758
Schistosoma mansoni nuclear hormone receptor 0.0057 0.0758 1
Brugia malayi nuclear hormone receptor 0.0057 0.0758 0.0758
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0057 0.0758 0.0758
Brugia malayi nuclear receptor NHR-88 0.0057 0.0758 0.0758
Loa Loa (eye worm) hypothetical protein 0.0042 0.0471 0.0471
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0057 0.0758 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0057 0.0758 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0042 0.0471 0.0471
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0057 0.0758 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0057 0.0758 0.0758
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0057 0.0758 0.0758
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 0.0758 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0057 0.0758 1
Loa Loa (eye worm) steroid hormone receptor 0.0057 0.0758 0.0758
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0042 0.0471 0.3875
Loa Loa (eye worm) hypothetical protein 0.0042 0.0471 0.0471
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0057 0.0758 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0758 0.0758
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0057 0.0758 1
Brugia malayi hypothetical protein 0.0042 0.0471 0.0471
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0042 0.0471 0.3875
Onchocerca volvulus 0.0057 0.0758 0.0483
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0057 0.0758 1
Brugia malayi hypothetical protein 0.0042 0.0471 0.0471
Brugia malayi Nuclear hormone receptor-like 1 0.0042 0.0471 0.0471
Loa Loa (eye worm) hypothetical protein 0.0057 0.0758 0.0758
Loa Loa (eye worm) hypothetical protein 0.0042 0.0471 0.0471
Schistosoma mansoni thyroid hormone receptor 0.0057 0.0758 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0057 0.0758 0.0758
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0057 0.0758 0.0758
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0057 0.0758 1
Schistosoma mansoni thyroid hormone receptor 0.0057 0.0758 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0057 0.0758 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0758 0.0758
Loa Loa (eye worm) hypothetical protein 0.0057 0.0758 0.0758
Echinococcus granulosus ecdysone induced protein 78C 0.0057 0.0758 1
Brugia malayi steroid hormone receptor 0.0057 0.0758 0.0758
Schistosoma mansoni retinoic acid receptor RXR 0.0057 0.0758 1
Brugia malayi Steroid receptor seven-up type 2 0.0057 0.0758 0.0758
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0057 0.0758 0.0758
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0057 0.0758 0.0758

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 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
Potency (functional) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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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