Detailed information for compound 1325248

Basic information

Technical information
  • TDR Targets ID: 1325248
  • Name: 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-me thylbenzoyl)-1-benzofuran-3-yl]acetamide
  • MW: 437.487 | Formula: C28H23NO4
  • H donors: 1 H acceptors: 2 LogP: 6.82 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1coc2c1ccc(c2C)C)Nc1c(oc2c1cccc2)C(=O)c1ccc(cc1)C
  • InChi: 1S/C28H23NO4/c1-16-8-11-19(12-9-16)26(31)28-25(22-6-4-5-7-23(22)33-28)29-24(30)14-20-15-32-27-18(3)17(2)10-13-21(20)27/h4-13,15H,14H2,1-3H3,(H,29,30)
  • InChiKey: ASBKOABYRQKWKK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(6,7-dimethylbenzofuran-3-yl)-N-[2-(4-methylbenzoyl)benzofuran-3-yl]acetamide
  • 2-(6,7-dimethyl-3-benzofuranyl)-N-[2-[(4-methylphenyl)-oxomethyl]-3-benzofuranyl]acetamide
  • 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-methylphenyl)carbonyl-1-benzofuran-3-yl]ethanamide
  • D038-1120
  • NCGC00115023-01

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
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0378 0.4458 1
Echinococcus multilocularis survival motor neuron protein 1 0.024 0.2732 0.2732
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.035 0.0785
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0297 0.3447 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0183 0.0411
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0297 0.3447 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0532 0.1542
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0183 0.0411
Loa Loa (eye worm) hypothetical protein 0.0051 0.037 0.0831
Loa Loa (eye worm) ICD-1 protein 0.007 0.0608 0.1364
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0117 0.1194 0.2678
Entamoeba histolytica hypothetical protein 0.0023 0.0027 0.0059
Brugia malayi Importin beta-1 subunit 0.0028 0.0093 0.021
Brugia malayi intermediate filament protein 0.0055 0.042 0.0942
Echinococcus multilocularis lamin dm0 0.0055 0.042 0.042
Schistosoma mansoni hypothetical protein 0.0036 0.0195 0.0553
Onchocerca volvulus Huntingtin homolog 0.0245 0.2794 0.5949
Loa Loa (eye worm) hypothetical protein 0.0026 0.0068 0.0152
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0183 0.0411
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0183 0.0521
Leishmania major hypothetical protein, conserved 0.0117 0.1194 0.3463
Leishmania major importin beta-1 subunit, putative 0.0023 0.0027 0.0077
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0532 0.1542
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0059 0.0479 0.0479
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0378 0.4458 1
Onchocerca volvulus 0.0055 0.042 0.017
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0375 0.1087
Entamoeba histolytica hypothetical protein 0.0036 0.0195 0.0437
Echinococcus granulosus snurportin 1 0.0303 0.3519 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0893 0.0893
Entamoeba histolytica hypothetical protein 0.0036 0.0195 0.0437
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0378 0.4458 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0378 0.4458 1
Onchocerca volvulus 0.0378 0.4458 1
Echinococcus multilocularis lamin 0.0055 0.042 0.042
Trypanosoma brucei glucosidase, putative 0.0036 0.0183 0.0532
Leishmania major cathepsin L-like protease 0.0063 0.0532 0.1542
Loa Loa (eye worm) hypothetical protein 0.024 0.2732 0.6127
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0183 0.0411
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0183 0.0411
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.0893 0.2004
Schistosoma mansoni alpha-glucosidase 0.0138 0.1461 0.4153
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0532 0.1542
Schistosoma mansoni hypothetical protein 0.0172 0.1884 0.5353
Onchocerca volvulus Huntingtin homolog 0.0245 0.2794 0.5949
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0378 0.4458 1
Leishmania major cathepsin L-like protease 0.0063 0.0532 0.1542
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.174 0.4944
Schistosoma mansoni alpha-glucosidase 0.0138 0.1461 0.4153
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0378 0.4458 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0893 0.0893
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.0479 0.1361
Plasmodium falciparum importin beta, putative 0.0028 0.0093 0.1537
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.1494 0.4335
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0027 0.0059
Echinococcus granulosus importin subunit beta 1 0.0028 0.0093 0.0266
Entamoeba histolytica transcription factor BTF3, putative 0.007 0.0608 0.1364
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0532 0.1542
Onchocerca volvulus 0.0055 0.042 0.017
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0532 0.1542
Loa Loa (eye worm) hypothetical protein 0.0055 0.042 0.0942
Loa Loa (eye worm) hypothetical protein 0.0035 0.0171 0.0383
Echinococcus granulosus survival motor neuron protein 1 0.024 0.2732 0.7763
Schistosoma mansoni lamin 0.0055 0.042 0.1193
Echinococcus granulosus lysine specific demethylase 5A 0.0059 0.0479 0.1361
Echinococcus granulosus geminin 0.0172 0.1884 0.5353
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0183 0.0411
Echinococcus granulosus lamin dm0 0.0055 0.042 0.1193
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0608 0.1364
Echinococcus multilocularis transcription factor btf3 0.007 0.0608 0.0608
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.037 0.0831
Entamoeba histolytica hypothetical protein 0.007 0.0608 0.1364
Echinococcus granulosus lamin 0.0055 0.042 0.1193
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0893 0.2539
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0893 0.2539
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0893 0.2539
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0378 0.4458 1
Brugia malayi Intermediate filament tail domain containing protein 0.0055 0.042 0.0942
Trypanosoma cruzi major cysteine proteinase, putative 0.005 0.0362 0.105
Echinococcus multilocularis importin subunit beta 1 0.0028 0.0093 0.0093
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.0261 0.0757
Entamoeba histolytica hypothetical protein 0.0036 0.0195 0.0437
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0378 0.4458 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0183 0.0411
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0893 0.2539
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0262 0.3003 1
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0261 0.0757
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0141 0.1494 0.4335
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0297 0.3447 1
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0608 0.1364
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.174 0.3902
Brugia malayi RNA, U transporter 1 0.0081 0.0746 0.1674
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0183 0.0532
Leishmania major mitochondrial DNA polymerase beta 0.0297 0.3447 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.124 0.2783
Entamoeba histolytica hypothetical protein 0.0036 0.0195 0.0437
Brugia malayi MH2 domain containing protein 0.012 0.124 0.2783
Brugia malayi hypothetical protein 0.0245 0.2794 0.6267
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0608 0.1364
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0183 0.0532
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0532 0.1542
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0183 0.0411
Brugia malayi jmjC domain containing protein 0.0059 0.0479 0.1074
Plasmodium vivax basic transcription factor 3b, putative 0.007 0.0608 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.174 0.174
Loa Loa (eye worm) hypothetical protein 0.0025 0.0055 0.0124
Trypanosoma cruzi transcription factor btf3, putative 0.007 0.0608 0.1765
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0261 0.0757
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0479 0.1074
Toxoplasma gondii hypothetical protein 0.0048 0.0337 0.5548
Plasmodium falciparum basic transcription factor 3b, putative 0.007 0.0608 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0183 0.0532
Schistosoma mansoni hypothetical protein 0.0172 0.1884 0.5353
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.124 0.2783
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0027 0.0077
Echinococcus granulosus transcription factor btf3 0.007 0.0608 0.1729
Trypanosoma cruzi hypothetical protein, conserved 0.0117 0.1194 0.3463
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0378 0.4458 1
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0532 0.1542
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0532 0.1542
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0303 0.3519 0.7893
Schistosoma mansoni alpha glucosidase 0.0036 0.0183 0.0521
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0117 0.1194 0.2678
Loa Loa (eye worm) hypothetical protein 0.0028 0.0093 0.021
Schistosoma mansoni hypothetical protein 0.0049 0.035 0.0994
Echinococcus multilocularis snurportin 1 0.0303 0.3519 0.3519
Loa Loa (eye worm) intermediate filament protein 0.0055 0.042 0.0942
Trypanosoma cruzi hypothetical protein, conserved 0.0117 0.1194 0.3463
Brugia malayi hypothetical protein 0.024 0.2732 0.6127
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0195 0.0553
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0479 0.1361
Loa Loa (eye worm) hypothetical protein 0.0025 0.0055 0.0124
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0183 0.3014
Onchocerca volvulus 0.0093 0.0896 0.133
Toxoplasma gondii NAC domain-containing protein 0.007 0.0608 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0171 0.0383
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.037 0.0831
Schistosoma mansoni survival motor neuron protein 0.0049 0.035 0.0994
Schistosoma mansoni transcription factor btf3 0.007 0.0608 0.1729
Toxoplasma gondii HEAT repeat-containing protein 0.0028 0.0093 0.1537
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.0479 0.1361
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.0261 0.0757
Trypanosoma cruzi transcription factor btf3, putative 0.007 0.0608 0.1765
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0532 0.1542
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.174 0.3902
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0195 0.0553
Schistosoma mansoni hypothetical protein 0.0035 0.0171 0.0485
Leishmania major basic transcription factor 3a, putative 0.007 0.0608 0.1765
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.0893 0.2004
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0183 0.0411
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0093 0.0271
Trypanosoma brucei importin beta-1 subunit, putative 0.0028 0.0093 0.0271
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0026 0.0068 0.0193
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0183 0.0411
Schistosoma mansoni jumonji domain containing protein 0.0059 0.0479 0.1361
Schistosoma mansoni importin beta-1 0.0028 0.0093 0.0266
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0532 0.1542
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0378 0.4458 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0532 0.1542
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0027 0.0059
Trypanosoma brucei transcription factor BTF3, putative 0.007 0.0608 0.1765
Brugia malayi cytoplasmic intermediate filament protein 0.0029 0.0104 0.0233
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0893 0.2539
Echinococcus multilocularis geminin 0.0172 0.1884 0.1884
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0058 0.0463 0.1343
Trypanosoma cruzi cruzipain precursor, putative 0.0063 0.0532 0.1542
Schistosoma mansoni intermediate filament proteins 0.0055 0.042 0.1193
Loa Loa (eye worm) hypothetical protein 0.0245 0.2794 0.6267
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0532 0.1542
Schistosoma mansoni hypothetical protein 0.0303 0.3519 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0029 0.0104 0.0233
Loa Loa (eye worm) hypothetical protein 0.0054 0.0407 0.0914
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0378 0.4458 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0026 0.0068 0.0068
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0141 0.1494 0.4335
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0532 0.1542
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0183 0.0411
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0532 0.1542
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0055 0.042 0.0942
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0183 0.0411
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.174 0.174
Echinococcus multilocularis lysine specific demethylase 5A 0.0059 0.0479 0.0479
Schistosoma mansoni lamin 0.0055 0.042 0.1193
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0195 0.0195
Brugia malayi beta-NAC-like protein 0.007 0.0608 0.1364
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0183 0.0411
Brugia malayi hypothetical protein 0.0036 0.0195 0.0437
Loa Loa (eye worm) hypothetical protein 0.0245 0.2794 0.6267
Leishmania major cathepsin L-like protease 0.0063 0.0532 0.1542
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0117 0.1194 0.3463
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0027 0.0059
Plasmodium vivax importin-beta 2, putative 0.0028 0.0093 0.1537
Echinococcus multilocularis musashi 0.0055 0.042 0.042
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0183 0.0183
Echinococcus granulosus intermediate filament protein 0.0055 0.042 0.1193
Brugia malayi jmjC domain containing protein 0.0059 0.0479 0.1074
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.037 0.0831
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0378 0.4458 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 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) = 1258.9254 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (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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