Detailed information for compound 1406772

Basic information

Technical information
  • TDR Targets ID: 1406772
  • Name: furan-2-ylmethyl (Z)-3-furan-2-yl-2-[(4-metho xybenzoyl)amino]prop-2-enoate
  • MW: 367.352 | Formula: C20H17NO6
  • H donors: 1 H acceptors: 2 LogP: 2.91 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)N/C(=C\c1ccco1)/C(=O)OCc1ccco1
  • InChi: 1S/C20H17NO6/c1-24-15-8-6-14(7-9-15)19(22)21-18(12-16-4-2-10-25-16)20(23)27-13-17-5-3-11-26-17/h2-12H,13H2,1H3,(H,21,22)/b18-12-
  • InChiKey: WQWKVPHFOYOOPQ-PDGQHHTCSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-furylmethyl (Z)-3-(2-furyl)-2-[(4-methoxybenzoyl)amino]prop-2-enoate
  • (Z)-3-(2-furyl)-2-[[(4-methoxyphenyl)-oxomethyl]amino]prop-2-enoic acid 2-furylmethyl ester
  • (Z)-3-(2-furyl)-2-[(4-methoxybenzoyl)amino]acrylic acid 2-furylmethyl ester
  • furan-2-ylmethyl (Z)-3-furan-2-yl-2-[(4-methoxyphenyl)carbonylamino]prop-2-enoate
  • MLS000762559
  • (Z)-3-Furan-2-yl-2-(4-methoxy-benzoylamino)-acrylic acid furan-2-ylmethyl ester
  • STOCK3S-84774
  • SMR000438066
  • ZINC05067393

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
Loa Loa (eye worm) matrixin family protein 0.0082 0.1929 0.1929
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0041 0.0312 0.1343
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0092 0.2325 0.2325
Brugia malayi Matrixin family protein 0.0034 0.0019 0.008
Brugia malayi Matrixin family protein 0.0034 0.0019 0.008
Mycobacterium leprae PROBABLE HYDROLASE 0.0041 0.0312 0.5
Brugia malayi Nematode astacin protease protein 30 0.0036 0.0093 0.0398
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0081 0.1871 0.1856
Loa Loa (eye worm) hypothetical protein 0.0034 0.0019 0.0019
Brugia malayi Nematode astacin protease protein 30 0.0036 0.0093 0.0398
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0083 0.1957 0.1957
Brugia malayi zinc metalloproteinase toh-2 precursor 0.0036 0.0093 0.0398
Onchocerca volvulus Arrow homolog 0.0083 0.1957 1
Onchocerca volvulus 0.0048 0.0582 0.2973
Brugia malayi Hemopexin family protein 0.0048 0.0582 0.2502
Toxoplasma gondii calcium binding egf domain-containing protein 0.0092 0.2325 0.5
Brugia malayi astacin protease protein 30 0.0036 0.0093 0.0398
Loa Loa (eye worm) hypothetical protein 0.0083 0.1957 0.1957
Mycobacterium ulcerans hydrolase 0.0041 0.0312 0.5
Onchocerca volvulus 0.0034 0.0019 0.0095
Schistosoma mansoni egf-like domain protein 0.0083 0.1957 0.1942
Onchocerca volvulus Matrilysin homolog 0.0034 0.0019 0.0095
Loa Loa (eye worm) hypothetical protein 0.0083 0.1957 0.1957
Loa Loa (eye worm) hypothetical protein 0.0092 0.2325 0.2325
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0083 0.1957 0.8416
Brugia malayi Calcium binding EGF domain containing protein 0.0092 0.2325 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0123 0.357 0.1623
Toxoplasma gondii calcium binding egf domain-containing protein 0.0092 0.2325 0.5
Loa Loa (eye worm) AStacin protease 0.0178 0.5754 0.5754
Loa Loa (eye worm) matrixin family protein 0.0075 0.166 0.166
Brugia malayi Matrixin family protein 0.0034 0.0019 0.008
Onchocerca volvulus Matrilysin homolog 0.0075 0.166 0.8482
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0041 0.0312 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0019 0.0019
Loa Loa (eye worm) hypothetical protein 0.0036 0.0093 0.0093
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0123 0.357 0.1623
Brugia malayi Zinc metalloproteinase toh-2 precursor 0.0036 0.0093 0.0398
Schistosoma mansoni hypothetical protein 0.0048 0.0582 0.0564
Loa Loa (eye worm) hypothetical protein 0.0041 0.0312 0.0312
Onchocerca volvulus 0.0036 0.0093 0.0473
Loa Loa (eye worm) hypothetical protein 0.0274 0.9539 0.9539
Brugia malayi Matrixin family protein 0.0034 0.0019 0.008
Loa Loa (eye worm) DPY-31 protein 0.0036 0.0093 0.0093
Brugia malayi Matrixin family protein 0.0082 0.1929 0.8298
Onchocerca volvulus Matrix metalloproteinase homolog 0.0075 0.166 0.8482
Loa Loa (eye worm) hypothetical protein 0.0034 0.0019 0.0019
Brugia malayi Fibulin-1 precursor 0.0092 0.2325 1
Loa Loa (eye worm) hypothetical protein 0.0116 0.3285 0.3285
Loa Loa (eye worm) zinc metalloproteinase toh-2 0.0036 0.0093 0.0093
Loa Loa (eye worm) matrix metalloproteinase 0.0034 0.0019 0.0019

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 28.1838 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
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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