Detailed information for compound 2071940

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 332.417 | Formula: C17H20N2O3S
  • H donors: 0 H acceptors: 2 LogP: 2.76 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)ccc1C(=O)N1CCCCC1c1nccs1
  • InChi: 1S/C17H20N2O3S/c1-21-12-6-7-13(15(11-12)22-2)17(20)19-9-4-3-5-14(19)16-18-8-10-23-16/h6-8,10-11,14H,3-5,9H2,1-2H3
  • InChiKey: UNTOQHJYKYOJKD-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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 alpha-mannosidase 0.017 0.0809 0.5
Trichomonas vaginalis maltase-glucoamylase, putative 0.0138 0.0467 0.5768
Echinococcus granulosus lysosomal alpha glucosidase 0.0618 0.5631 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0114 0.0207 0.2561
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0151 0.0613 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0114 0.0207 0.2561
Schistosoma mansoni alpha-glucosidase 0.056 0.5009 1
Echinococcus multilocularis transfer RNA-Trp 0.0114 0.0207 0.0121
Loa Loa (eye worm) glycosyl hydrolase family 38 protein 0.017 0.0809 0.1378
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0114 0.0207 0.2561
Schistosoma mansoni mannosyl-oligosaccharide alpha-12-mannosidase 0.0114 0.0207 0.0136
Loa Loa (eye worm) hypothetical protein 0.0114 0.0207 0.0302
Trichomonas vaginalis alpha-glucosidase, putative 0.0138 0.0467 0.5768
Brugia malayi Glycosyl hydrolases family 31 protein 0.0138 0.0467 0.0594
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0151 0.0613 0.097
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0618 0.5631 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.0207 0.0302
Trichomonas vaginalis conserved hypothetical protein 0.0114 0.0207 0.2561
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0114 0.0207 0.2561
Echinococcus granulosus lysosomal alpha mannosidase 0.0151 0.0613 0.0748
Trichomonas vaginalis alpha-glucosidase, putative 0.0138 0.0467 0.5768
Echinococcus multilocularis lysosomal alpha mannosidase 0.0151 0.0613 0.086
Loa Loa (eye worm) hypothetical protein 0.0113 0.0196 0.0281
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0151 0.0613 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0138 0.0467 0.0766
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0114 0.0207 0.2561
Loa Loa (eye worm) hypothetical protein 0.0108 0.0141 0.0183
Echinococcus granulosus neutral alpha glucosidase AB 0.0138 0.0467 0.0479
Trichomonas vaginalis alpha-glucosidase, putative 0.0138 0.0467 0.5768
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0138 0.0467 0.5768
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0114 0.0207 0.2561
Trypanosoma brucei glucosidase, putative 0.0138 0.0467 0.5788
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0114 0.0207 0.2561
Loa Loa (eye worm) hypothetical protein 0.0108 0.0141 0.0183
Onchocerca volvulus 0.056 0.5009 1
Loa Loa (eye worm) mannosidase 0.0114 0.0207 0.0302
Echinococcus multilocularis neutral alpha glucosidase AB 0.0138 0.0467 0.0594
Trichomonas vaginalis alpha-mannosidase, putative 0.017 0.0809 1
Brugia malayi Glycosyl hydrolases family 38 protein 0.017 0.0809 0.1217
Trichomonas vaginalis sucrase-isomaltase, putative 0.0138 0.0467 0.5768
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0114 0.0207 0.2561
Brugia malayi Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform 1 0.0114 0.0207 0.0121
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0101 0.007 0.0865
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0114 0.0207 0.2561
Echinococcus multilocularis mannosyl oligosaccharide 1,2 alpha mannosidase 0.0114 0.0207 0.0121
Brugia malayi Glycosyl hydrolases family 31 protein 0.0618 0.5631 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0138 0.0467 0.5
Schistosoma mansoni alpha-glucosidase 0.056 0.5009 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0114 0.0207 0.2561
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0138 0.0467 0.5768
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0114 0.0207 0.2561
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0114 0.0207 0.2561
Trichomonas vaginalis alpha-glucosidase, putative 0.0138 0.0467 0.5768
Mycobacterium tuberculosis Possible conserved exported protein 0.1024 1 0.5
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0151 0.0613 1
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.017 0.0809 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0618 0.5631 1
Leishmania major alpha glucosidase II subunit, putative 0.0138 0.0467 0.5
Echinococcus multilocularis endoplasmic reticulum mannosyl oligosaccharide 0.0114 0.0207 0.0121
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0114 0.0207 0.2561
Echinococcus multilocularis lysosomal alpha glucosidase 0.0618 0.5631 1
Schistosoma mansoni alpha glucosidase 0.0138 0.0467 0.0669
Trichomonas vaginalis alpha-glucosidase, putative 0.0138 0.0467 0.5768

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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