Detailed information for compound 823936

Basic information

Technical information
  • TDR Targets ID: 823936
  • Name: N-(1,1-dioxothiolan-3-yl)-2-(5-ethyl-1-benzof uran-3-yl)-N-[(4-propan-2-ylphenyl)methyl]ace tamide
  • MW: 453.594 | Formula: C26H31NO4S
  • H donors: 0 H acceptors: 3 LogP: 4.71 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc2c(c1)c(co2)CC(=O)N(C1CCS(=O)(=O)C1)Cc1ccc(cc1)C(C)C
  • InChi: 1S/C26H31NO4S/c1-4-19-7-10-25-24(13-19)22(16-31-25)14-26(28)27(23-11-12-32(29,30)17-23)15-20-5-8-21(9-6-20)18(2)3/h5-10,13,16,18,23H,4,11-12,14-15,17H2,1-3H3
  • InChiKey: CANUBRFNAIVFLS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,1-dioxothiolan-3-yl)-2-(5-ethylbenzofuran-3-yl)-N-[(4-isopropylphenyl)methyl]acetamide
  • N-(1,1-dioxo-3-thiolanyl)-2-(5-ethyl-3-benzofuranyl)-N-[(4-isopropylphenyl)methyl]acetamide
  • N-(1,1-diketothiolan-3-yl)-2-(5-ethylbenzofuran-3-yl)-N-(4-isopropylbenzyl)acetamide
  • N-(1,1-dioxothiolan-3-yl)-2-(5-ethyl-1-benzofuran-3-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamide

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 lipoxygenase 0.1092 0.5286 0.8343
Loa Loa (eye worm) hypothetical protein 0.0791 0.2161 0.2161
Schistosoma mansoni vesicular acetylcholine transporter 0.1193 0.6335 1
Echinococcus granulosus acetylcholinesterase 0.0909 0.3387 0.5347
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.1193 0.6335 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.1092 0.5286 0.8343
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.1092 0.5286 0.8343
Brugia malayi vesicular acetylcholine transporter unc-17 0.1193 0.6335 0.6335
Loa Loa (eye worm) hypothetical protein 0.0909 0.3387 0.3387
Echinococcus granulosus vesicular acetylcholine transporter 0.1193 0.6335 1
Schistosoma mansoni lipoxygenase 0.0763 0.1879 0.2966
Loa Loa (eye worm) carboxylesterase 0.0909 0.3387 0.3387
Leishmania major C-8 sterol isomerase-like protein 0.1547 1 0.5
Echinococcus granulosus carboxylesterase 5A 0.0909 0.3387 0.5347
Trypanosoma cruzi C-8 sterol isomerase, putative 0.1547 1 0.5
Echinococcus granulosus acetylcholinesterase 0.0909 0.3387 0.5347
Echinococcus multilocularis carboxylesterase 5A 0.0909 0.3387 0.5347
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.1193 0.6335 0.6335
Loa Loa (eye worm) hypothetical protein 0.1547 1 1
Echinococcus multilocularis vesicular acetylcholine transporter 0.1193 0.6335 1
Echinococcus multilocularis acetylcholinesterase 0.0909 0.3387 0.5347
Brugia malayi Carboxylesterase family protein 0.0909 0.3387 0.3387
Loa Loa (eye worm) acetylcholinesterase 1 0.0909 0.3387 0.3387
Echinococcus multilocularis acetylcholinesterase 0.0909 0.3387 0.5347
Trypanosoma brucei C-8 sterol isomerase, putative 0.1547 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0909 0.3387 0.3387
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0909 0.3387 0.5347
Brugia malayi Carboxylesterase family protein 0.0909 0.3387 0.3387

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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