Compound Detail
CHEMBL259756
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CC1=N[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H](CO)O[C@H]2S1
Basic Information
| ChEMBL ID | CHEMBL259756 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRXPLJQBSXEGOW-LKDUVQOASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1678.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endo-beta-N-acetylglucosaminidase CHEMBL1075042 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Cytosolic endo-beta-N-acetylglucosaminidase CHEMBL5172 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endo-beta-N-acetylglucosaminidase | IC50 | = | 220.0 | nM | 6.66 | Inhibition of Arthrobacter protophormiae endo-beta-N-acetylglucosaminidase after... | 18304822 |
| Cytosolic endo-beta-N-acetylglucosaminidase | IC50 | = | 420.0 | nM | 6.38 | Inhibition of human endo-beta-N-acetylglucosaminidase expressed in Hek293 cells ... | 18304822 |
| Unchecked | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of Mucor hiemalis endo-beta-N-acetylglucosaminidase after 5 mins by H... | 18304822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18304822 | 10.1016/j.bmc.2008.02.032 | Unchecked | 2 |
| 18304822 | 10.1016/j.bmc.2008.02.032 | Cytosolic endo-beta-N-acetylglucosaminidase | 1 |
| 18304822 | 10.1016/j.bmc.2008.02.032 | Endo-beta-N-acetylglucosaminidase | 1 |
Data from ChEMBL 36 via Core Engine