Detailed information for compound 775183

Basic information

Technical information
  • TDR Targets ID: 775183
  • Name: N-(3-acetyl-2-methyl-1-benzofuran-5-yl)-N-(2, 4-dimethylphenyl)sulfonylbutanamide
  • MW: 427.513 | Formula: C23H25NO5S
  • H donors: 0 H acceptors: 4 LogP: 4.45 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(=O)N(S(=O)(=O)c1ccc(cc1C)C)c1ccc2c(c1)c(C(=O)C)c(o2)C
  • InChi: 1S/C23H25NO5S/c1-6-7-22(26)24(30(27,28)21-11-8-14(2)12-15(21)3)18-9-10-20-19(13-18)23(16(4)25)17(5)29-20/h8-13H,6-7H2,1-5H3
  • InChiKey: ADWRPANMBLPUMY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-acetyl-2-methyl-benzofuran-5-yl)-N-(2,4-dimethylphenyl)sulfonyl-butanamide
  • N-(3-acetyl-2-methyl-5-benzofuranyl)-N-(2,4-dimethylphenyl)sulfonylbutanamide
  • N-(3-acetyl-2-methyl-benzofuran-5-yl)-N-(2,4-dimethylphenyl)sulfonyl-butyramide
  • N-(2,4-dimethylphenyl)sulfonyl-N-(3-ethanoyl-2-methyl-1-benzofuran-5-yl)butanamide
  • AP-906/41639099
  • ZINC00645615

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
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0283 0.068
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0722 0.1732
Schistosoma mansoni amine GPCR 0.0176 0.3193 0.7662
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0413 0.0413
Schistosoma mansoni intermediate filament proteins 0.0026 0.0193 0.0463
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0388 0.093
Brugia malayi vesicular acetylcholine transporter unc-17 0.0225 0.4167 1
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0193 0.0463
Brugia malayi hypothetical protein 0.0038 0.0428 0.1027
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0525 0.0525
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0225 0.4167 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0516 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0413 0.0413
Schistosoma mansoni hypothetical protein 0.0038 0.0428 0.1027
Echinococcus multilocularis musashi 0.0026 0.0193 0.0193
Loa Loa (eye worm) hypothetical protein 0.0026 0.0193 0.0463
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0428 0.0428
Entamoeba histolytica hypothetical protein 0.0038 0.0428 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0413 0.0992
Echinococcus multilocularis lamin 0.0026 0.0193 0.0193
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0283 0.5
Brugia malayi PHD-finger family protein 0.0031 0.0283 0.068
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0722 0.1732
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0941 0.2258
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0283 0.5
Brugia malayi jmjC domain containing protein 0.0037 0.0413 0.0992
Schistosoma mansoni jumonji domain containing protein 0.008 0.1272 0.3054
Loa Loa (eye worm) hypothetical protein 0.0053 0.0722 0.1732
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0283 0.0283
Brugia malayi Bromodomain containing protein 0.0031 0.0283 0.068
Schistosoma mansoni lamin 0.0026 0.0193 0.0463
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0225 0.4167 1
Schistosoma mansoni vesicular acetylcholine transporter 0.0225 0.4167 1
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0428 0.1027
Loa Loa (eye worm) hypothetical protein 0.0053 0.0724 0.1738
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0722 0.1732
Loa Loa (eye worm) hypothetical protein 0.0026 0.0183 0.044
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0193 0.0463
Entamoeba histolytica hypothetical protein 0.0038 0.0428 0.5
Giardia lamblia PHD finger protein 15 0.0031 0.0283 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0388 0.093
Entamoeba histolytica hypothetical protein 0.0038 0.0428 0.5
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0283 0.5
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0525 0.0525
Echinococcus granulosus intermediate filament protein 0.0026 0.0193 0.0193
Echinococcus granulosus lamin dm0 0.0026 0.0193 0.0193
Echinococcus multilocularis peregrin 0.0031 0.0283 0.0283
Onchocerca volvulus Alhambra homolog 0.0031 0.0283 0.0227
Echinococcus granulosus vesicular acetylcholine transporter 0.0225 0.4167 0.4167
Schistosoma mansoni hypothetical protein 0.0036 0.0388 0.093
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0283 0.068
Brugia malayi jmjC domain containing protein 0.0101 0.1688 0.4051
Echinococcus granulosus lamin 0.0026 0.0193 0.0193
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0283 0.0283
Brugia malayi intermediate filament protein 0.0026 0.0193 0.0463
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0193 0.0463
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0413 0.0992
Plasmodium falciparum phd finger protein, putative 0.0031 0.0283 0.5
Echinococcus multilocularis lamin dm0 0.0026 0.0193 0.0193
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0428 0.0428
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0413 0.0992
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0101 0.1688 0.1688
Schistosoma mansoni lamin 0.0026 0.0193 0.0463
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0101 0.1688 0.1688
Entamoeba histolytica hypothetical protein 0.0038 0.0428 0.5
Schistosoma mansoni hypothetical protein 0.0031 0.0283 0.068
Echinococcus multilocularis vesicular acetylcholine transporter 0.0225 0.4167 0.4167
Loa Loa (eye worm) hypothetical protein 0.0031 0.0283 0.068
Echinococcus granulosus peregrin 0.0031 0.0283 0.0283

Activities

No activities found for this compound.

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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