Detailed information for compound 1411813

Basic information

Technical information
  • TDR Targets ID: 1411813
  • Name: 5-[(2-methoxyphenoxy)methyl]-N-pyridin-4-ylfu ran-2-carboxamide
  • MW: 324.331 | Formula: C18H16N2O4
  • H donors: 1 H acceptors: 2 LogP: 2.56 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1OCc1ccc(o1)C(=O)Nc1ccncc1
  • InChi: 1S/C18H16N2O4/c1-22-15-4-2-3-5-16(15)23-12-14-6-7-17(24-14)18(21)20-13-8-10-19-11-9-13/h2-11H,12H2,1H3,(H,19,20,21)
  • InChiKey: DJALHOOGNUAXQF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[(2-methoxyphenoxy)methyl]-N-(4-pyridyl)furan-2-carboxamide
  • 5-[(2-methoxyphenoxy)methyl]-N-(4-pyridyl)-2-furancarboxamide
  • 5-[(2-methoxyphenoxy)methyl]-N-(4-pyridyl)-2-furamide
  • 5-[(2-methoxyphenoxy)methyl]-N-pyridin-4-yl-furan-2-carboxamide
  • Oprea1_236036
  • ZINC00115483
  • 5-[(2-methoxyphenoxy)methyl]-N-4-pyridinyl-2-furamide
  • MLS000089159
  • SMR000072864
  • ST025982

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei protein kinase, putative 0.0062 0.0299 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0158 0.0158
Entamoeba histolytica WD domain containing protein 0.004 0.0133 0.8409
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0274 0.0698
Schistosoma mansoni survival motor neuron protein 0.0058 0.0274 0.0274
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2054 0.2054
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0299 1
Loa Loa (eye worm) SET domain-containing protein 0.0523 0.3918 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0158 0.0158
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.0523 0.3918 0.3918
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.0299 1
Plasmodium falciparum chromatin assembly factor 1 P55 subunit, putative 0.004 0.0133 1
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.2054 0.2054
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.004 0.0133 0.0133
Brugia malayi hypothetical protein 0.0256 0.1826 0.466
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.0299 1
Onchocerca volvulus 0.0058 0.0274 0.1498
Toxoplasma gondii RbAp48 0.004 0.0133 0.4428
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0158 0.0158
Echinococcus granulosus retinoblastoma binding protein 4 0.004 0.0133 0.0133
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.0299 0.0299
Echinococcus granulosus polycomb protein suz12 A 0.1085 0.8314 0.8314
Brugia malayi MAP kinase sur-1 0.0062 0.0299 0.0764
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0299 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0289 0.0737
Plasmodium vivax chromatin assembly factor 1 P55 subunit, putative 0.004 0.0133 1
Echinococcus multilocularis polycomb protein suz12 A 0.1085 0.8314 0.8314
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0289 0.0737
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.0299 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.0299 1
Schistosoma mansoni hypothetical protein 0.0041 0.014 0.014
Schistosoma mansoni hypothetical protein 0.0058 0.0274 0.0274
Echinococcus granulosus histone lysine N methyltransferase Ez 0.0523 0.3918 0.3918
Echinococcus multilocularis polycomb protein EED 0.0316 0.2297 0.2297
Brugia malayi hypothetical protein 0.0286 0.2054 0.5243
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.0299 0.0299
Entamoeba histolytica hypothetical protein 0.0043 0.0158 1
Schistosoma mansoni enhancer of zeste ezh 0.0523 0.3918 0.3918
Schistosoma mansoni ae-1 binding protein aebp2 0.13 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.014 0.0356
Schistosoma mansoni hypothetical protein 0.1085 0.8314 0.8314
Giardia lamblia Histone acetyltransferase type B subunit 2 0.004 0.0133 0.4428
Brugia malayi WD domain containing protein 0.0316 0.2297 0.5861
Schistosoma mansoni hypothetical protein 0.0043 0.0158 0.0158
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.0299 0.0299
Plasmodium falciparum chromatin assembly factor 1 subunit, putative 0.004 0.0133 1
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0299 1
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.004 0.0133 0.4428
Echinococcus granulosus polycomb protein EED 0.0316 0.2297 0.2297
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.0299 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.0299 0.0299
Plasmodium vivax chromatin assembly factor 1 P55 subunit, putative 0.004 0.0133 1
Entamoeba histolytica hypothetical protein 0.0043 0.0158 1
Plasmodium vivax chromatin assembly factor 1 protein WD40 domain, putative 0.004 0.0133 1
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.0299 0.0299
Entamoeba histolytica hypothetical protein 0.0043 0.0158 1
Echinococcus multilocularis Zinc finger protein jing protein 0.13 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0299 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.0299 0.0764
Plasmodium falciparum chromatin assembly factor 1 protein WD40 domain, putative 0.004 0.0133 1
Brugia malayi hypothetical protein 0.0043 0.0158 0.0402
Onchocerca volvulus 0.0256 0.1826 1
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.0299 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.0299 1
Loa Loa (eye worm) hypothetical protein 0.0256 0.1826 0.466
Toxoplasma gondii RbAp46 0.004 0.0133 0.4428
Leishmania major hypothetical protein, conserved 0.004 0.0133 0.4428
Schistosoma mansoni embryonic ectoderm development protein 0.0316 0.2297 0.2297
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0289 0.0737
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.0299 1
Echinococcus granulosus histone binding protein Caf1 0.004 0.0133 0.0133
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0289 0.0737
Loa Loa (eye worm) hypothetical protein 0.0286 0.2054 0.5243
Loa Loa (eye worm) WD domain-containing protein 0.0316 0.2297 0.5861
Echinococcus multilocularis histone binding protein Caf1 0.004 0.0133 0.0133
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.014 0.0356
Echinococcus multilocularis retinoblastoma binding protein 4 0.004 0.0133 0.0133
Entamoeba histolytica hypothetical protein 0.0043 0.0158 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.0299 1
Brugia malayi SET domain containing protein 0.0523 0.3918 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3489 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) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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 (functional) = 70.7946 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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