Detailed information for compound 1332615

Basic information

Technical information
  • TDR Targets ID: 1332615
  • Name: N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-ca rboxamide
  • MW: 281.306 | Formula: C17H15NO3
  • H donors: 1 H acceptors: 1 LogP: 3.4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1CNC(=O)c1cc2c(o1)cccc2
  • InChi: 1S/C17H15NO3/c1-20-14-8-4-3-7-13(14)11-18-17(19)16-10-12-6-2-5-9-15(12)21-16/h2-10H,11H2,1H3,(H,18,19)
  • InChiKey: QOSZDMFZFJGBRQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2-methoxyphenyl)methyl]benzofuran-2-carboxamide
  • N-[(2-methoxyphenyl)methyl]-2-benzofurancarboxamide
  • N-(2-methoxybenzyl)benzofuran-2-carboxamide
  • ZINC03352579
  • T5282395

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0038 0.0207 0.1536
Loa Loa (eye worm) hypothetical protein 0.001 0.0016 0.0111
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0048 0.0279 1
Entamoeba histolytica hypothetical protein 0.007 0.0428 0.6638
Echinococcus granulosus potassium voltage gated channel subfamily H 0.001 0.0018 0.0136
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0016 0.0117
Echinococcus multilocularis expressed conserved protein 0.0096 0.0602 0.1059
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0016 0.0028
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0016 0.0028
Loa Loa (eye worm) hypothetical protein 0.0102 0.0645 0.4536
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0133 0.0934
Schistosoma mansoni hypothetical protein 0.007 0.0428 0.3176
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0016 0.0117
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0016 0.0111
Giardia lamblia Glucosamine-6-phosphate isomerase, putative 0.0048 0.0279 1
Brugia malayi intermediate filament protein 0.0027 0.0133 0.0934
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0016 0.0111
Echinococcus granulosus voltage gated potassium channel 0.001 0.0018 0.0136
Loa Loa (eye worm) hypothetical protein 0.001 0.0016 0.0111
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0048 0.0279 0.1966
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0159 0.0279
Onchocerca volvulus 0.0245 0.1625 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0016 0.0111
Echinococcus multilocularis Niemann Pick C1 protein 0.0146 0.0944 0.1659
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0048 0.0279 0.1719
Schistosoma mansoni nuclear hormone receptor 0.001 0.0016 0.0117
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0048 0.0279 0.2073
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0016 0.0111
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0016 0.0117
Schistosoma mansoni hypothetical protein 0.0205 0.1347 1
Echinococcus granulosus expressed conserved protein 0.0096 0.0602 0.4471
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0151 0.1122
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.0247 0.1736
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0214 0.1587
Loa Loa (eye worm) hypothetical protein 0.0027 0.0129 0.091
Toxoplasma gondii exonuclease III APE 0.0038 0.0207 0.741
Echinococcus multilocularis lamin dm0 0.0027 0.0133 0.0233
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0159 0.118
Schistosoma mansoni lamin 0.0027 0.0133 0.0985
Leishmania major N-acetyl-D-acetylglucosaminylphosphatidylinositol deacetylase 0.0048 0.0279 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0016 0.0117
Loa Loa (eye worm) hypothetical protein 0.001 0.0016 0.0111
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0037 0.0065
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.001 0.0018 0.0128
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0207 0.1274
Trypanosoma brucei N-acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase 0.0048 0.0279 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0839 0.5689 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0016 0.0111
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.0191 0.1347
Echinococcus granulosus lamin 0.0027 0.0133 0.0985
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0038 0.0207 0.1457
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0016 0.0117
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0016 0.0111
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0016 0.0117
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0037 0.0274
Onchocerca volvulus 0.0027 0.0133 0.0817
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0191 0.1421
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0038 0.0207 0.3211
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0016 0.0117
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0016 0.0111
Brugia malayi steroid hormone receptor 0.001 0.0016 0.0111
Loa Loa (eye worm) hypothetical protein 0.001 0.0016 0.0111
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0038 0.0207 0.741
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0016 0.0028
Entamoeba histolytica hypothetical protein 0.007 0.0428 0.6638
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0103 0.0655 0.4865
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0016 0.0111
Schistosoma mansoni patched 1 0.0044 0.0247 0.1832
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0016 0.0117
Schistosoma mansoni thyroid hormone receptor 0.001 0.0016 0.0117
Brugia malayi nuclear receptor NHR-88 0.001 0.0016 0.0111
Schistosoma mansoni ap endonuclease 0.0038 0.0207 0.1536
Brugia malayi nuclear hormone receptor 0.001 0.0016 0.0111
Brugia malayi hypothetical protein 0.007 0.0428 0.3011
Onchocerca volvulus 0.0027 0.0133 0.0817
Schistosoma mansoni coup transcription factor 0.001 0.0016 0.0117
Entamoeba histolytica hypothetical protein 0.007 0.0428 0.6638
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0016 0.0111
Schistosoma mansoni lamin 0.0027 0.0133 0.0985
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0016 0.0111
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0016 0.0097
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0016 0.0117
Echinococcus granulosus lamin dm0 0.0027 0.0133 0.0985
Trichomonas vaginalis ap endonuclease, putative 0.0038 0.0207 0.1274
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0016 0.0028
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0159 0.118
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.007 0.0428 0.0752
Loa Loa (eye worm) hypothetical protein 0.0031 0.0159 0.1119
Mycobacterium tuberculosis Conserved hypothetical protein 0.0048 0.0279 0.0289
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0159 0.5691
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0016 0.0111
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0016 0.0111
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0016 0.0028
Loa Loa (eye worm) hypothetical protein 0.001 0.0016 0.0111
Loa Loa (eye worm) hypothetical protein 0.001 0.0016 0.0111
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0016 0.0097
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0016 0.0111
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0215 0.1421 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0016 0.0117
Mycobacterium tuberculosis Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase) 0.1421 0.9668 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0016 0.0028
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0038 0.0207 0.741
Schistosoma mansoni voltage-gated potassium channel 0.001 0.0018 0.0136
Echinococcus multilocularis geminin 0.0205 0.1347 0.2368
Schistosoma mansoni hypothetical protein 0.0205 0.1347 1
Plasmodium vivax SET domain protein, putative 0.0031 0.0159 0.5691
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0016 0.0117
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0038 0.0207 0.0364
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0016 0.0117
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0191 0.1347
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0016 0.0111
Loa Loa (eye worm) hypothetical protein 0.001 0.0016 0.0111
Onchocerca volvulus 0.001 0.0016 0.0097
Toxoplasma gondii N-acetylglucosaminylphosphatidylinositol deacetylase 0.0048 0.0279 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0016 0.0111
Echinococcus multilocularis lamin 0.0027 0.0133 0.0233
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0016 0.0111
Brugia malayi exodeoxyribonuclease III family protein 0.0038 0.0207 0.1457
Echinococcus granulosus Niemann Pick C1 protein 0.0102 0.0645 0.4785
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0102 0.0645 1
Echinococcus multilocularis musashi 0.0027 0.0133 0.0233
Treponema pallidum exodeoxyribonuclease (exoA) 0.0038 0.0207 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0016 0.0028
Loa Loa (eye worm) hypothetical protein 0.001 0.0018 0.0128
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0159 0.118
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0016 0.0111
Entamoeba histolytica glucosamine-6-phosphate isomerase, putative 0.0048 0.0279 0.4333
Brugia malayi Niemann-Pick C1 protein precursor 0.0102 0.0645 0.4536
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0038 0.0207 0.0214
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0016 0.0111
Brugia malayi Pre-SET motif family protein 0.0031 0.0159 0.1119
Schistosoma mansoni voltage-gated potassium channel 0.0039 0.0214 0.1587
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0016 0.0117
Onchocerca volvulus 0.0031 0.0159 0.0979
Echinococcus multilocularis protein patched 0.0044 0.0247 0.0434
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0033 0.0175 0.1079
Schistosoma mansoni thyroid hormone receptor 0.001 0.0016 0.0117
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.0247 0.0434
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0016 0.0117
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0047 0.0329
Loa Loa (eye worm) hypothetical protein 0.0054 0.0314 0.221
Loa Loa (eye worm) hypothetical protein 0.0013 0.0034 0.0236
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0207 0.741
Echinococcus multilocularis voltage gated potassium channel 0.001 0.0018 0.0032
Echinococcus granulosus intermediate filament protein 0.0027 0.0133 0.0985
Schistosoma mansoni intermediate filament proteins 0.0027 0.0133 0.0985
Schistosoma mansoni hypothetical protein 0.0042 0.0236 0.1752
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0016 0.0117
Loa Loa (eye worm) hypothetical protein 0.0031 0.0159 0.112
Plasmodium falciparum N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0048 0.0279 1
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0048 0.0279 0.2073
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0159 0.0279
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0038 0.0207 0.741
Plasmodium vivax N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0048 0.0279 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0016 0.0111
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.0247 0.1832
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0133 0.0934
Loa Loa (eye worm) hypothetical protein 0.0013 0.0037 0.026
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0016 0.0117
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.001 0.0018 0.0032
Loa Loa (eye worm) hypothetical protein 0.001 0.0016 0.0111
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.007 0.0428 0.3176
Loa Loa (eye worm) hypothetical protein 0.0027 0.0133 0.0934
Brugia malayi Pre-SET motif family protein 0.0215 0.1421 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0102 0.0645 0.1133
Schistosoma mansoni voltage-gated potassium channel 0.001 0.0018 0.0136
Trichomonas vaginalis set domain proteins, putative 0.0245 0.1625 1
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0016 0.0028
Schistosoma mansoni ap endonuclease 0.0038 0.0207 0.1536
Brugia malayi CHE-14 protein 0.0044 0.0247 0.1736
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0047 0.0329
Schistosoma mansoni hypothetical protein 0.0042 0.0236 0.1752
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0038 0.0207 0.741
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0038 0.0207 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.0034 0.0236
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0159 0.118
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0016 0.0028
Entamoeba histolytica hypothetical protein 0.007 0.0428 0.6638
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0048 0.0279 1
Mycobacterium tuberculosis N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB (GlcNAc-Ins deacetylase) 0.0048 0.0279 0.0289
Schistosoma mansoni transcription factor LCR-F1 0.007 0.0428 0.3176
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0016 0.0111
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0191 0.0336
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0133 0.0934
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.147 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0016 0.0111
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0038 0.0207 0.741
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0159 0.118
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0038 0.0207 0.741
Schistosoma mansoni hypothetical protein 0.0042 0.0236 0.1752
Schistosoma mansoni hypothetical protein 0.0042 0.0236 0.1752
Loa Loa (eye worm) hypothetical protein 0.0044 0.0247 0.1736
Echinococcus granulosus geminin 0.0205 0.1347 1
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0048 0.0279 0.0491
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0016 0.0111
Echinococcus multilocularis protein dispatched 1 0.005 0.0289 0.0508
Entamoeba histolytica N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase, putative 0.0048 0.0279 0.4333
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0247 0.1519
Mycobacterium ulcerans N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB 0.0048 0.0279 0.0074
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0016 0.0097
Echinococcus granulosus Protein patched homolog 1 0.0044 0.0247 0.1832
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0016 0.0111
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0016 0.0111
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0033 0.0175 0.1079
Brugia malayi ecdysteroid receptor 0.001 0.0016 0.0111
Echinococcus granulosus Niemann Pick C1 protein 0.0146 0.0944 0.7005
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0016 0.0117
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0048 0.0279 0.1966
Echinococcus granulosus FTZ F1 alpha 0.001 0.0016 0.0117

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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

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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