Detailed information for compound 661651

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 330.219 | Formula: C17H16BrNO
  • H donors: 1 H acceptors: 1 LogP: 4.36 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=Nc1ccc(cc1)Br)/C=C(/c1ccc(cc1)C)\O
  • InChi: 1S/C17H16BrNO/c1-12-3-5-14(6-4-12)17(20)11-13(2)19-16-9-7-15(18)8-10-16/h3-11,20H,1-2H3
  • InChiKey: DYCPIKUDOZTROR-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
Trichomonas vaginalis glucosylceramidase, putative 0.0219 0.1312 0.1312
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0667 1 1
Brugia malayi Glycosyl hydrolases family 38 protein 0.0326 0.3389 0.239
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0382 0.4473 0.5
Echinococcus multilocularis transfer RNA-Trp 0.0667 1 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0667 1 1
Schistosoma mansoni mannosidase alpha class 2a 0.0453 0.5846 0.5331
Echinococcus multilocularis alpha mannosidase 2 0.0453 0.5846 0.2484
Schistosoma mansoni mannosyl-oligosaccharide alpha-12-mannosidase 0.0667 1 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0667 1 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0667 1 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0667 1 1
Loa Loa (eye worm) hypothetical protein 0.0264 0.2189 0.1219
Loa Loa (eye worm) hypothetical protein 0.0244 0.1801 0.0782
Onchocerca volvulus 0.0326 0.3389 0.5
Echinococcus granulosus alpha mannosidase 2 0.0244 0.1801 0.0446
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0667 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0219 0.1312 0.1312
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0326 0.3389 0.2568
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0667 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0219 0.1312 0.1312
Trichomonas vaginalis glucosylceramidase, putative 0.0219 0.1312 0.1312
Echinococcus multilocularis mannosyl oligosaccharide 1,2 alpha mannosidase 0.0667 1 1
Echinococcus granulosus lysosomal alpha mannosidase 0.0382 0.4473 0.3561
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0667 1 1
Brugia malayi Glycosyl hydrolases family 38 protein 0.0326 0.3389 0.239
Loa Loa (eye worm) hypothetical protein 0.0575 0.8216 0.7994
Echinococcus granulosus mannosyl oligosaccharide 12 alpha mannosidase 0.0667 1 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0667 1 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0667 1 1
Loa Loa (eye worm) hypothetical protein 0.0326 0.3389 0.2568
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0667 1 1
Loa Loa (eye worm) hypothetical protein 0.0453 0.5846 0.5331
Trichomonas vaginalis alpha-mannosidase 2c1, putative 0.0326 0.3389 0.3389
Trypanosoma brucei lysosomal alpha-mannosidase precursor, putative 0.0382 0.4473 1
Loa Loa (eye worm) glycosyl hydrolase family 38 protein 0.0326 0.3389 0.2568
Echinococcus granulosus endoplasmic reticulum mannosyl oligosaccharide 0.0667 1 1
Loa Loa (eye worm) hypothetical protein 0.0667 1 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0219 0.1312 0.0234
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0667 1 1
Schistosoma mansoni lysosomal alpha-mannosidase (mannosidase alpha class 2b member 1) 0.0382 0.4473 0.3787
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0667 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0219 0.1312 0.1312
Loa Loa (eye worm) hypothetical protein 0.0667 1 1
Echinococcus multilocularis endoplasmic reticulum mannosyl oligosaccharide 0.0667 1 1
Brugia malayi Glycosyl hydrolases family 38 protein 0.0453 0.5846 0.5219
Trichomonas vaginalis conserved hypothetical protein 0.0667 1 1
Brugia malayi lysosomal alpha-mannosidase 0.0326 0.3389 0.239
Trypanosoma cruzi lysosomal alpha-mannosidase precursor, putative 0.0382 0.4473 0.5
Loa Loa (eye worm) mannosidase 0.0667 1 1
Trichomonas vaginalis alpha-mannosidase, putative 0.0326 0.3389 0.3389
Onchocerca volvulus 0.0326 0.3389 0.5
Mycobacterium ulcerans alpha-mannosidase 0.0326 0.3389 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0219 0.1312 0.1312

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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