Detailed information for compound 1342381

Basic information

Technical information
  • TDR Targets ID: 1342381
  • Name: N-[2-[4-[(3-oxo-1H-2-benzofuran-1-yl)sulfamoy l]phenyl]ethyl]acetamide
  • MW: 374.411 | Formula: C18H18N2O5S
  • H donors: 2 H acceptors: 4 LogP: 1.71 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)NCCc1ccc(cc1)S(=O)(=O)NC1OC(=O)c2c1cccc2
  • InChi: 1S/C18H18N2O5S/c1-12(21)19-11-10-13-6-8-14(9-7-13)26(23,24)20-17-15-4-2-3-5-16(15)18(22)25-17/h2-9,17,20H,10-11H2,1H3,(H,19,21)
  • InChiKey: HXBKMJFXFMGTDJ-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[2-[4-[(3-oxo-1H-isobenzofuran-1-yl)sulfamoyl]phenyl]ethyl]acetamide
  • N-[2-[4-[(3-keto-1H-isobenzofuran-1-yl)sulfamoyl]phenyl]ethyl]acetamide
  • N-[2-[4-[(3-oxo-1H-2-benzofuran-1-yl)sulfamoyl]phenyl]ethyl]ethanamide
  • MLS000085081
  • EU-0013930
  • N-[2-(4-{[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]sulfonyl}phenyl)ethyl]acetamide
  • SMR000019627

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
Echinococcus granulosus lysosomal alpha glucosidase 0.034 0.9724 0.971
Echinococcus multilocularis ceramide glucosyltransferase 0.0231 0.5028 0.4771
Schistosoma mansoni ceramide glucosyltransferase 0.0231 0.5028 0.4914
Loa Loa (eye worm) hypothetical protein 0.0346 1 1
Onchocerca volvulus 0.0228 0.4904 0.4904
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.025 0.5854 0.564
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2132 0.2992
Echinococcus multilocularis bile acid beta glucosidase 0.0202 0.3754 0.3432
Brugia malayi Glycosyl hydrolases family 31 protein 0.034 0.9724 0.971
Echinococcus multilocularis non lysosomal glucosylceramidase 0.0202 0.3754 0.3432
Loa Loa (eye worm) hypothetical protein 0.0136 0.0919 0.045
Schistosoma mansoni ceramide glucosyltransferase 0.0231 0.5028 0.4914
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.2515 0.3712
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.5854 1
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.5854 1
Echinococcus granulosus ceramide glucosyltransferase 0.0231 0.5028 0.4771
Schistosoma mansoni alpha-glucosidase 0.034 0.9724 1
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2132 0.2992
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2132 0.2992
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.5854 1
Schistosoma mansoni bile acid beta-glucosidase-related 0.0202 0.3754 0.3534
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2132 0.2992
Echinococcus multilocularis lysosomal alpha glucosidase 0.034 0.9724 0.971
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.5854 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0346 1 1
Echinococcus granulosus non lysosomal glucosylceramidase 0.0202 0.3754 0.3432
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2132 0.2992
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.5854 1
Loa Loa (eye worm) ceramide glucosyltransferase 0.0231 0.5028 0.4771
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2132 0.2992
Trichomonas vaginalis glucosylceramidase, putative 0.025 0.5854 1
Trichomonas vaginalis glucosylceramidase, putative 0.0164 0.2132 0.2992
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.2515 0.3712
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0346 1 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.025 0.5854 0.564
Schistosoma mansoni bile acid beta-glucosidase-related 0.0202 0.3754 0.3534
Onchocerca volvulus Ceramide glucosyltransferase homolog 0.0231 0.5028 0.5028
Echinococcus granulosus bile acid beta glucosidase 0.0202 0.3754 0.3432
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0346 1 1
Onchocerca volvulus Putative nachr subunit 0.0346 1 1
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0346 1 1
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0346 1 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0346 1 1
Onchocerca volvulus Glucosylceramidase homolog 0.0164 0.2132 0.2132
Brugia malayi Ceramide glucosyltransferase 0.0231 0.5028 0.4771
Schistosoma mansoni alpha-glucosidase 0.034 0.9724 1
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0126 0.0491 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.034 0.9724 0.971
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.034 0.9724 0.971
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0346 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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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