Detailed information for compound 1295194

Basic information

Technical information
  • TDR Targets ID: 1295194
  • Name: ethyl 6-furan-2-yl-2-methyl-4-oxocyclohex-2-e ne-1-carboxylate
  • MW: 248.274 | Formula: C14H16O4
  • H donors: 0 H acceptors: 2 LogP: 1.23 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1C(=CC(=O)CC1c1ccco1)C
  • InChi: 1S/C14H16O4/c1-3-17-14(16)13-9(2)7-10(15)8-11(13)12-5-4-6-18-12/h4-7,11,13H,3,8H2,1-2H3
  • InChiKey: RTSFZIIUQRGIAA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 6-(2-furyl)-2-methyl-4-oxo-cyclohex-2-ene-1-carboxylate
  • 6-(2-furyl)-2-methyl-4-oxo-1-cyclohex-2-enecarboxylic acid ethyl ester
  • 6-(2-furyl)-4-keto-2-methyl-cyclohex-2-ene-1-carboxylic acid ethyl ester
  • ethyl 6-furan-2-yl-2-methyl-4-oxo-cyclohex-2-ene-1-carboxylate
  • MLS000079711
  • STOCK2S-16555
  • SMR000040451
  • Oprea1_747404

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0597 1
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.121 0.1751
Loa Loa (eye worm) hypothetical protein 0.0054 0.2234 0.3234
Brugia malayi MH2 domain containing protein 0.0131 0.6907 1
Echinococcus multilocularis tar DNA binding protein 0.007 0.3194 0.3194
Echinococcus multilocularis GPCR, family 2 0.0017 0.0021 0.0021
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.2234 0.3234
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0021 0.0021
Loa Loa (eye worm) hypothetical protein 0.0037 0.121 0.1751
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2331 0.3374
Brugia malayi TAR-binding protein 0.007 0.3194 0.4624
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0021 0.0031
Entamoeba histolytica hypothetical protein 0.0074 0.3445 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2331 0.2331
Leishmania major hypothetical protein, conserved 0.0027 0.0597 1
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0021 0.0031
Schistosoma mansoni hypothetical protein 0.0017 0.0021 0.0021
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0597 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0021 0.0031
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2331 0.2331
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0597 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0597 1
Entamoeba histolytica hypothetical protein 0.0074 0.3445 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.3445 0.3445
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2331 0.2331
Loa Loa (eye worm) TAR-binding protein 0.007 0.3194 0.4624
Schistosoma mansoni hypothetical protein 0.0037 0.121 0.121
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.3194 0.4624
Schistosoma mansoni tar DNA-binding protein 0.007 0.3194 0.3194
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0021 0.0021
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.2234 0.3234
Schistosoma mansoni hypothetical protein 0.0017 0.0021 0.0021
Entamoeba histolytica hypothetical protein 0.0074 0.3445 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.6907 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0597 0.0865
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2331 0.2331
Brugia malayi hypothetical protein 0.0074 0.3445 0.4987
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.2234 0.3234
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.3445 0.3445
Echinococcus granulosus tar DNA binding protein 0.007 0.3194 0.3194
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2331 0.2331
Brugia malayi RNA recognition motif domain containing protein 0.007 0.3194 0.4624
Loa Loa (eye worm) hypothetical protein 0.0017 0.0021 0.0031
Brugia malayi hypothetical protein 0.0017 0.003 0.0044
Schistosoma mansoni hypothetical protein 0.0017 0.0021 0.0021
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2331 0.2331
Brugia malayi hypothetical protein 0.0027 0.0597 0.0865
Schistosoma mansoni hypothetical protein 0.0017 0.0021 0.0021
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0597 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.3194 0.3194
Schistosoma mansoni tar DNA-binding protein 0.007 0.3194 0.3194
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2331 0.3374
Brugia malayi RNA binding protein 0.007 0.3194 0.4624
Schistosoma mansoni tar DNA-binding protein 0.007 0.3194 0.3194
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0021 0.0021
Entamoeba histolytica hypothetical protein 0.0074 0.3445 0.5
Loa Loa (eye worm) RNA binding protein 0.007 0.3194 0.4624
Schistosoma mansoni hypothetical protein 0.0074 0.3445 0.3445
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2331 0.2331
Echinococcus granulosus GPCR family 2 0.0017 0.0021 0.0021
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.6907 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.3194 0.3194
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.3445 0.3445
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0597 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0021 0.0021
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0597 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 53 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 47.1 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule antagonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1169 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) 11.2202 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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