Detailed information for compound 1337120

Basic information

Technical information
  • TDR Targets ID: 1337120
  • Name: methyl 5-[[4-(benzoyl)phenoxy]methyl]furan-2- carboxylate
  • MW: 336.338 | Formula: C20H16O5
  • H donors: 0 H acceptors: 2 LogP: 4.02 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(o1)COc1ccc(cc1)C(=O)c1ccccc1
  • InChi: 1S/C20H16O5/c1-23-20(22)18-12-11-17(25-18)13-24-16-9-7-15(8-10-16)19(21)14-5-3-2-4-6-14/h2-12H,13H2,1H3
  • InChiKey: WRFABYFYXZEJLR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[[4-(oxo-phenylmethyl)phenoxy]methyl]-2-furancarboxylic acid methyl ester
  • 5-[[4-(benzoyl)phenoxy]methyl]furan-2-carboxylic acid methyl ester
  • methyl 5-[(4-phenylcarbonylphenoxy)methyl]furan-2-carboxylate
  • ZINC06379990

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
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
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0173 0.0633
Schistosoma mansoni hypothetical protein 0.0019 0.0831 0.0828
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0173 0.0633
Toxoplasma gondii histone lysine methyltransferase SET1 0.007 0.3826 1
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0342 0.0265
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.2737 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.2485 0.5
Echinococcus multilocularis cpg binding protein 0.0037 0.1866 0.1801
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4208 0.4161
Echinococcus granulosus GPCR family 2 0.0019 0.0831 0.078
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4208 0.4206
Schistosoma mansoni bromodomain containing protein 0.0006 0.008 0.0076
Schistosoma mansoni cpg binding protein 0.0035 0.175 0.1747
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4208 0.4161
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.325 0.3196
Schistosoma mansoni hypothetical protein 0.0019 0.0831 0.0828
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.2737 0.2759
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0218 0.0143
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0173 0.0633
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.2485 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0218 0.0139
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.325 0.3196
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.2737 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 1 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.4208 0.4161
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0831 0.0757
Loa Loa (eye worm) acetyltransferase 0.0175 1 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0218 0.0139
Schistosoma mansoni hypothetical protein 0.0019 0.0831 0.0828
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.175 0.1684
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4208 0.4161
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4208 0.4161
Loa Loa (eye worm) hypothetical protein 0.006 0.325 0.3196
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0831 0.0757
Onchocerca volvulus 0.0035 0.175 0.5
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0342 0.0265
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0173 0.0633
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0173 0.0633
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.2485 0.5
Brugia malayi TAR-binding protein 0.0076 0.4208 0.4161
Schistosoma mansoni bromodomain containing protein 0.0006 0.008 0.0076
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0831 0.0757
Brugia malayi CXXC zinc finger family protein 0.0035 0.175 0.1684
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0218 0.0214
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0831 0.078
Schistosoma mansoni hypothetical protein 0.0019 0.0831 0.0828
Schistosoma mansoni zinc finger protein 0.0006 0.008 0.0076
Echinococcus multilocularis GPCR, family 2 0.0019 0.0831 0.0757
Echinococcus granulosus tar DNA binding protein 0.0076 0.4208 0.4286
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.2737 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0173 0.0633
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0218 0.0143
Schistosoma mansoni cpg binding protein 0.0037 0.1866 0.1863
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0831 0.078
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4208 0.4206
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.213 0.2067
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4208 0.4206
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0173 0.0633
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0173 0.0633
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.4036 0.4033
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.9711 1
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0334 0.0256
Trichomonas vaginalis helicase, putative 0.0008 0.0173 0.0633
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.325 0.3196
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0173 0.0633
Schistosoma mansoni hypothetical protein 0.0041 0.213 0.2127
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0173 0.0633
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0173 0.0633
Schistosoma mansoni cpg binding protein 0.0037 0.1866 0.1863
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0173 0.0633
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0173 0.0633
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0342 0.0272
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0831 0.0757
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0173 0.0633
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0173 0.0633
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4208 0.4206
Echinococcus granulosus cpg binding protein 0.0037 0.1866 0.1855
Loa Loa (eye worm) hypothetical protein 0.0041 0.213 0.2067
Brugia malayi RNA binding protein 0.0076 0.4208 0.4161
Loa Loa (eye worm) hypothetical protein 0.0019 0.0831 0.0757
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0173 0.0633
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0173 0.0633
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0831 0.0757
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4208 0.4206

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2079 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) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 50.1187 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
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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