Compound Detail
CHEMBL458368
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Basic Information
| ChEMBL ID | CHEMBL458368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRBKDBZXOAEMOT-DPYQTVNSSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
147.2
MW (Da)
-1.94
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.82
IC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.82 | 5.8733 | 15.0 | 3 |
| Tissue alpha-L-fucosidase CHEMBL3545 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 15.0 | nM | 7.82 | Inhibition of alpha-fucosidase | 21050758 |
| Unchecked | Ki | = | 3000.0 | nM | 5.52 | Inhibition of alpha-galactosidase | 21050758 |
| Tissue alpha-L-fucosidase | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of bovine epididymis alpha-L-fucosidase assessed as p-nitrophenol rel... | 11858756 |
| Unchecked | Ki | = | 53000.0 | nM | 4.28 | Inhibition of beta-galactosidase | 21050758 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21050758 | 10.1016/j.bmcl.2010.10.043 | Unchecked | 7 |
| 11858756 | 10.1021/np010360f | Unchecked | 4 |
| 11858756 | 10.1021/np010360f | Sucrase-isomaltase, intestinal | 2 |
| 11858756 | 10.1021/np010360f | Acidic alpha-glucosidase | 1 |
| 11858756 | 10.1021/np010360f | Beta-mannosidase | 1 |
| 11858756 | 10.1021/np010360f | Alpha-galactosidase | 1 |
| 11858756 | 10.1021/np010360f | Beta-galactosidase | 1 |
| 11858756 | 10.1021/np010360f | Tissue alpha-L-fucosidase | 1 |
Data from ChEMBL 36 via Core Engine