Detailed information for compound 1949452

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 161.199 | Formula: C7H15NO3
  • H donors: 4 H acceptors: 3 LogP: -1.11 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC([C@H]1CNC[C@H]([C@@H]1O)O)O
  • InChi: 1S/C7H15NO3/c1-4(9)5-2-8-3-6(10)7(5)11/h4-11H,2-3H2,1H3/t4?,5-,6-,7-/m1/s1
  • InChiKey: YEZMDJVWNQIFDP-UVSCYPECSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, beta, acid Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
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
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0548 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4328 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.4328 0.4328
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2021 0.1027
Wolbachia endosymbiont of Brugia malayi extracellular metallopeptidase 0.0268 0.3265 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4328 1
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.1757 0.5
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0197 0.1586 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4328 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4328 1
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.2021 0.1027
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4328 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.4328 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0197 0.1586 0.5
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.4328 0.4328

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 20 nM BindingDB_Patents: Enzyme Inhibition Assay. The enzyme inhibition assays used monitored the ability of a test compound to bind and prevent the hydrolysis of a fluorogenic substrate in a concentration-dependent mariner. Specifically, the enzyme activity of recombinant human GCase (rhGCase; Cerezyme, Genzyme Corp.) was measured using the 4-methylumbelliferyl-ß-D-glucopyranoside (4-MU-ß-D-Glc) fluorogenic substrate in the absence or in the presence of varying amounts of each test compound. ChEMBL. No reference
IC50 (binding) = 66 nM BindingDB_Patents: Enzyme Inhibition Assay. The enzyme inhibition assays used monitored the ability of a test compound to bind and prevent the hydrolysis of a fluorogenic substrate in a concentration-dependent mariner. Specifically, the enzyme activity of recombinant human GCase (rhGCase; Cerezyme, Genzyme Corp.) was measured using the 4-methylumbelliferyl-ß-D-glucopyranoside (4-MU-ß-D-Glc) fluorogenic substrate in the absence or in the presence of varying amounts of each test compound. ChEMBL. No reference
IC50 (binding) = 107 nM BindingDB_Patents: Enzyme Inhibition Assay. The enzyme inhibition assays used monitored the ability of a test compound to bind and prevent the hydrolysis of a fluorogenic substrate in a concentration-dependent mariner. Specifically, the enzyme activity of recombinant human GCase (rhGCase; Cerezyme, Genzyme Corp.) was measured using the 4-methylumbelliferyl-ß-D-glucopyranoside (4-MU-ß-D-Glc) fluorogenic substrate in the absence or in the presence of varying amounts of each test compound. ChEMBL. No reference
IC50 (binding) = 343 nM BindingDB_Patents: Enzyme Inhibition Assay. The enzyme inhibition assays used monitored the ability of a test compound to bind and prevent the hydrolysis of a fluorogenic substrate in a concentration-dependent mariner. Specifically, the enzyme activity of recombinant human GCase (rhGCase; Cerezyme, Genzyme Corp.) was measured using the 4-methylumbelliferyl-ß-D-glucopyranoside (4-MU-ß-D-Glc) fluorogenic substrate in the absence or in the presence of varying amounts of each test compound. ChEMBL. No reference
Ki (binding) = 10 nM BindingDB_Patents: Enzyme Inhibition Assay. The enzyme inhibition assays used monitored the ability of a test compound to bind and prevent the hydrolysis of a fluorogenic substrate in a concentration-dependent mariner. Specifically, the enzyme activity of recombinant human GCase (rhGCase; Cerezyme, Genzyme Corp.) was measured using the 4-methylumbelliferyl-ß-D-glucopyranoside (4-MU-ß-D-Glc) fluorogenic substrate in the absence or in the presence of varying amounts of each test compound. ChEMBL. No reference
Ki (binding) = 35 nM BindingDB_Patents: Enzyme Inhibition Assay. The enzyme inhibition assays used monitored the ability of a test compound to bind and prevent the hydrolysis of a fluorogenic substrate in a concentration-dependent mariner. Specifically, the enzyme activity of recombinant human GCase (rhGCase; Cerezyme, Genzyme Corp.) was measured using the 4-methylumbelliferyl-ß-D-glucopyranoside (4-MU-ß-D-Glc) fluorogenic substrate in the absence or in the presence of varying amounts of each test compound. ChEMBL. No reference
Ki (binding) = 44 nM BindingDB_Patents: Enzyme Inhibition Assay. The enzyme inhibition assays used monitored the ability of a test compound to bind and prevent the hydrolysis of a fluorogenic substrate in a concentration-dependent mariner. Specifically, the enzyme activity of recombinant human GCase (rhGCase; Cerezyme, Genzyme Corp.) was measured using the 4-methylumbelliferyl-ß-D-glucopyranoside (4-MU-ß-D-Glc) fluorogenic substrate in the absence or in the presence of varying amounts of each test compound. ChEMBL. No reference
Ki (binding) = 142 nM BindingDB_Patents: Enzyme Inhibition Assay. The enzyme inhibition assays used monitored the ability of a test compound to bind and prevent the hydrolysis of a fluorogenic substrate in a concentration-dependent mariner. Specifically, the enzyme activity of recombinant human GCase (rhGCase; Cerezyme, Genzyme Corp.) was measured using the 4-methylumbelliferyl-ß-D-glucopyranoside (4-MU-ß-D-Glc) fluorogenic substrate in the absence or in the presence of varying amounts of each test compound. 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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