Compound Detail
CHEMBL4483772
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Basic Information
| ChEMBL ID | CHEMBL4483772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXKWPPJPYICKAW-PQMKYFCFSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
204.2
MW (Da)
-2.81
ALogP
6
HBA
4
HBD
116.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-mannosidase CHEMBL3392945 | Ki | 5.16 | 5.16 | 7000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.7 | 4.7 | 20000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-mannosidase | Ki | = | 7000.0 | nM | 5.16 | Inhibition of jack bean Lysosomal alpha-mannosidase assessed as residual hydroly... | 31017416 |
| Unchecked | Ki | = | 20000.0 | nM | 4.7 | Inhibition of almond beta-glucosidase assessed as residual hydrolytic activity a... | 31017416 |
| Unchecked | Ki | = | 20000.0 | nM | 4.7 | Inhibition of bovine liver beta-glucosidase assessed as residual hydrolytic acti... | 31017416 |
| Unchecked | Ki | = | 20000.0 | nM | 4.7 | Inhibition of Helix pomatia beta-mannosidase assessed as residual hydrolytic act... | 31017416 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31017416 | 10.1021/acs.jmedchem.9b00153 | Unchecked | 3 |
| 31017416 | 10.1021/acs.jmedchem.9b00153 | Alpha-mannosidase | 1 |
Data from ChEMBL 36 via Core Engine