Detailed information for compound 1530132

Basic information

Technical information
  • TDR Targets ID: 1530132
  • Name: N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-y lmethyl)-1-benzofuran-2-carboxamide
  • MW: 351.419 | Formula: C20H17NO3S
  • H donors: 0 H acceptors: 1 LogP: 4.29 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1oc2c(c1C)cccc2)N(Cc1cccs1)Cc1ccco1
  • InChi: 1S/C20H17NO3S/c1-14-17-8-2-3-9-18(17)24-19(14)20(22)21(12-15-6-4-10-23-15)13-16-7-5-11-25-16/h2-11H,12-13H2,1H3
  • InChiKey: AFHGIOKFCMTWLV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-furylmethyl)-3-methyl-N-(2-thienylmethyl)benzofuran-2-carboxamide
  • N-(2-furylmethyl)-3-methyl-N-(2-thienylmethyl)-2-benzofurancarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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 dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
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
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
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 %
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
Entamoeba histolytica hypothetical protein 0.0043 0.2189 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.3344 1
Entamoeba histolytica hypothetical protein 0.0043 0.2189 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.3471 0.3471
Brugia malayi hypothetical protein 0.0043 0.2189 0.2189
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.3471 0.4675
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.1294 0.241
Brugia malayi PHD-finger family protein 0.0035 0.1294 0.1294
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.3344 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.1294 0.6309
Leishmania major DNA polymerase eta, putative 0.0054 0.3344 1
Echinococcus multilocularis dna polymerase eta 0.0054 0.3344 0.3344
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.1294 0.1294
Schistosoma mansoni DNA polymerase eta 0.0054 0.3344 0.4504
Schistosoma mansoni hypothetical protein 0.0043 0.2189 0.2949
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.401 0.401
Loa Loa (eye worm) hypothetical protein 0.003 0.0775 0.1444
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 1 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.1294 1
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.2792 0.2792
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.2189 0.2189
Schistosoma mansoni jumonji domain containing protein 0.0092 0.7424 1
Echinococcus multilocularis peregrin 0.0035 0.1294 0.1294
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.401 0.401
Echinococcus granulosus dna polymerase eta 0.0054 0.3344 0.3344
Brugia malayi jmjC domain containing protein 0.0043 0.2099 0.2099
Loa Loa (eye worm) hypothetical protein 0.0041 0.194 0.3614
Echinococcus granulosus peregrin 0.0035 0.1294 0.1294
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.1294 0.6309
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.2189 0.2189
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.2189 0.2949
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.3471 0.3471
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.401 0.747
Onchocerca volvulus Alhambra homolog 0.0035 0.1294 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.194 0.2613
Loa Loa (eye worm) hypothetical protein 0.0035 0.1294 0.241
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.3471 0.3471
Loa Loa (eye worm) hypothetical protein 0.0054 0.3344 0.6228
Brugia malayi Bromodomain containing protein 0.0035 0.1294 0.1294
Echinococcus granulosus jumonji domain containing protein 0.0049 0.2792 0.2792
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0775 0.2319
Loa Loa (eye worm) hypothetical protein 0.006 0.4027 0.7502
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.1597 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.2099 0.2827
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.2099 0.2827
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.3471 0.3471
Entamoeba histolytica hypothetical protein 0.0043 0.2189 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.1294 0.1294
Plasmodium falciparum phd finger protein, putative 0.0035 0.1294 1
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.3344 0.3344
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.2099 0.2099
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.2099 0.391
Loa Loa (eye worm) hypothetical protein 0.006 0.401 0.747
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0 0.5
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.1294 0.1742
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.3471 0.3471
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.5368 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.194 0.194
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.3471 0.6466
Brugia malayi hypothetical protein 0.003 0.0775 0.0775
Leishmania major hypothetical protein, conserved 0.003 0.0775 0.2319
Leishmania major DNA polymerase eta, putative 0.0038 0.1597 0.4775
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.3471 0.4675
Schistosoma mansoni hypothetical protein 0.0035 0.1294 0.1742
Giardia lamblia PHD finger protein 15 0.0035 0.1294 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0775 0.2319
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.1597 0.4775
Entamoeba histolytica hypothetical protein 0.0043 0.2189 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.3471 0.4675
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0775 0.2319
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.2099 0.2099

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 6.3096 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) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] 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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