Compound Detail
CHEMBL476926
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Basic Information
| ChEMBL ID | CHEMBL476926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNDCXXSXVWBCJF-UMSGYPCISA-N |
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
-1.13
ALogP
5
HBA
4
HBD
93.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.69
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.69 | 6.345 | 206.0 | 2 |
| Lysosomal alpha-mannosidase CHEMBL4059 | IC50 | 6.3 | 6.1 | 500.0 | 3 |
| Lysosomal alpha-mannosidase CHEMBL4059 | Ki | 6.26 | 5.9767 | 550.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 206.0 | nM | 6.69 | Inhibition of jack bean alpha-mannosidase | 18599296 |
| Lysosomal alpha-mannosidase | IC50 | = | 500.0 | nM | 6.3 | Inhibition of alpha-mannosidase in human LNZ308 cells | 18599296 |
| Lysosomal alpha-mannosidase | IC50 | = | 500.0 | nM | 6.3 | Inhibition of alpha-mannosidase in human HCEC | 18599296 |
| Lysosomal alpha-mannosidase | Ki | = | 550.0 | nM | 6.26 | Inhibition of alpha-mannosidase in human LNZ308 cells | 18599296 |
| Lysosomal alpha-mannosidase | Ki | = | 670.0 | nM | 6.17 | Inhibition of alpha-mannosidase in human HCEC | 18599296 |
| Unchecked | Ki | = | 1000.0 | nM | 6.0 | Inhibition of drosophila golgi alpha-mannosidase 2 | 18599296 |
| Lysosomal alpha-mannosidase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of alpha-mannosidase in human LN18 cells | 18599296 |
| Lysosomal alpha-mannosidase | Ki | = | 3200.0 | nM | 5.5 | Inhibition of alpha-mannosidase in human LN18 cells | 18599296 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18599296 | 10.1016/j.bmc.2008.06.021 | Lysosomal alpha-mannosidase | 6 |
| 18599296 | 10.1016/j.bmc.2008.06.021 | Unchecked | 2 |
| 18599296 | 10.1016/j.bmc.2008.06.021 | NON-PROTEIN TARGET | 2 |
| 18599296 | 10.1016/j.bmc.2008.06.021 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine