Detailed information for compound 26983

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 321.868 | Formula: C16H20ClN3S
  • H donors: 0 H acceptors: 1 LogP: 3.39 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)C(c1snc(c1)C)c1ccc(cc1)Cl
  • InChi: 1S/C16H20ClN3S/c1-12-11-15(21-18-12)16(13-3-5-14(17)6-4-13)20-9-7-19(2)8-10-20/h3-6,11,16H,7-10H2,1-2H3
  • InChiKey: MOJIEWHQSOOWIB-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
Brugia malayi Alpha-mannosidase C1orf22 0.0049 0.0388 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0388 0.0089
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0354 1 1
Trypanosoma cruzi mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative 0.0049 0.0388 1
Echinococcus granulosus er degradation enhancer mannosidase alpha 0.0049 0.0388 0.0388
Loa Loa (eye worm) hypothetical protein 0.0354 1 1
Echinococcus granulosus endoplasmic reticulum mannosyl oligosaccharide 0.0354 1 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0354 1 1
Trichomonas vaginalis Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform, putative 0.0049 0.0388 0.0089
Brugia malayi Alpha-mannosidase C1orf22 0.0049 0.0388 0.0089
Loa Loa (eye worm) hypothetical protein 0.0305 0.8463 0.8449
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0354 1 1
Echinococcus multilocularis endoplasmic reticulum mannosyl oligosaccharide 0.0354 1 1
Echinococcus multilocularis alpha mannosidase 2 0.0069 0.1015 0.0736
Trypanosoma brucei mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative 0.0049 0.0388 1
Onchocerca volvulus 0.0046 0.0302 0.5
Echinococcus granulosus er degradation enhancing alpha mannosidase 0.0049 0.0388 0.0388
Echinococcus granulosus er degradation enhancing alpha mannosidase 0.0049 0.0388 0.0388
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0354 1 1
Echinococcus multilocularis er degradation enhancing alpha mannosidase er degradation enhancer mannosidase alpha 0.0049 0.0388 0.0089
Loa Loa (eye worm) hypothetical protein 0.0049 0.0388 0.0303
Schistosoma mansoni mannosyl-oligosaccharidealpha-12-mannosidase-r el ated 0.0049 0.0388 0.0089
Echinococcus granulosus mannosyl oligosaccharide 12 alpha mannosidase 0.0354 1 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0354 1 1
Loa Loa (eye worm) mannosidase 0.0354 1 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.1015 0.0936
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0049 0.0388 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0388 0.0089
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0354 1 1
Trypanosoma brucei mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative 0.0049 0.0388 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0049 0.0388 0.0089
Loa Loa (eye worm) hypothetical protein 0.0049 0.0388 0.0303
Brugia malayi Glycosyl hydrolases family 38 protein 0.0069 0.1015 0.0736
Schistosoma mansoni mannosidase alpha class 2a 0.0069 0.1015 0.0736
Loa Loa (eye worm) hypothetical protein 0.0049 0.0388 0.0303
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0388 0.0089
Trichomonas vaginalis Mannosyl-oligosaccharide 1,2-alpha-mannosidase IA, putative 0.0049 0.0388 0.0089
Echinococcus multilocularis transfer RNA-Trp 0.0354 1 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0354 1 1
Brugia malayi Alpha-mannosidase C1orf22 0.0049 0.0388 0.0089
Echinococcus granulosus lysosomal alpha mannosidase 0.0046 0.0302 0.0302
Mycobacterium ulcerans alpha-mannosidase 0.0046 0.0302 0.5
Echinococcus granulosus alpha mannosidase 2 0.0039 0.0088 0.0088
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0354 1 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0354 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0388 0.0089
Trypanosoma cruzi mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative 0.0049 0.0388 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0388 0.0303
Loa Loa (eye worm) hypothetical protein 0.0049 0.0388 0.0303
Loa Loa (eye worm) glycosyl hydrolase family 38 protein 0.0046 0.0302 0.0216
Echinococcus multilocularis er degradation enhancing alpha mannosidase er degradation enhancer mannosidase alpha 0.0049 0.0388 0.0089
Echinococcus multilocularis ER degradation enhancer, mannosidase alpha 0.0049 0.0388 0.0089
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0049 0.0388 0.0089
Brugia malayi Glycosyl hydrolase family 47 protein 0.0049 0.0388 0.0089
Trypanosoma cruzi mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative 0.0049 0.0388 1
Schistosoma mansoni er degradation-enhancing alpha-mannosidase-like 0.0049 0.0388 0.0089
Trichomonas vaginalis conserved hypothetical protein 0.0354 1 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0049 0.0388 0.0089
Onchocerca volvulus 0.0046 0.0302 0.5
Brugia malayi ER degradation-enhancing alpha-mannosidase-like, putative 0.0049 0.0388 0.0089
Trypanosoma cruzi mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative 0.0049 0.0388 1
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0388 0.0089
Trypanosoma cruzi mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative 0.0049 0.0388 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0354 1 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0049 0.0388 0.0089
Trypanosoma brucei mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative 0.0049 0.0388 1
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0388 0.0089
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0354 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0302 0.0216
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0388 0.0089
Loa Loa (eye worm) hypothetical protein 0.0354 1 1
Trichomonas vaginalis mannosyl-oligosaccharide alpha-1,2-mannosidase, putative 0.0049 0.0388 0.0089
Echinococcus granulosus er degradation enhancing alpha mannosidase 0.0049 0.0388 0.0388
Brugia malayi Alpha-mannosidase C1orf22 0.0049 0.0388 0.0089
Schistosoma mansoni mannosyl-oligosaccharide alpha-12-mannosidase 0.0354 1 1
Schistosoma mansoni mannosyl-oligosaccharidealpha-12-mannosidase-r el ated 0.0049 0.0388 0.0089
Echinococcus multilocularis er degradation enhancing alpha mannosidase 0.0049 0.0388 0.0089
Trypanosoma cruzi mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative 0.0049 0.0388 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0354 1 1
Trichomonas vaginalis endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase, putative 0.0354 1 1
Trypanosoma brucei mannosyl-oligosaccharide 1,2-alpha-mannosidase IB, putative 0.0049 0.0388 1
Echinococcus multilocularis mannosyl oligosaccharide 1,2 alpha mannosidase 0.0354 1 1

Activities

Activity type Activity value Assay description Source Reference
Reduction (functional) = 2 % Hypolipidemic activity was measured as reduction in rat serum triglyceride after oral administration in male Wistar rats at 100 mg / (kg day) ChEMBL. 6148419
Reduction (functional) = 15 % Hypolipidemic activity was measured as reduction in rat serum cholesterol after oral administration in male Wistar rats at 100 mg / (kg day) ChEMBL. 6148419
Reduction (functional) = 19 % Hypolipidemic activity was measured as reduction in rat serum triglyceride after oral administration in male Wistar rats at 200 mg / (kg day) ChEMBL. 6148419
Reduction (functional) = 67 % Hypolipidemic activity was measured as reduction in rat serum cholesterol after oral administration in male Wistar rats at 200 mg/(kg day) ChEMBL. 6148419

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

1 literature reference was collected for this gene.

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