Compound Detail
CHEMBL488157
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Basic Information
| ChEMBL ID | CHEMBL488157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBQAQDYHLUTAGE-CQOGJGKDSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
177.2
MW (Da)
-2.58
ALogP
5
HBA
5
HBD
93.0
PSA (Ų)
0.32
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-galactosidase CHEMBL3482 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Beta-glucosidase A CHEMBL4622 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
| Beta-mannosidase CHEMBL3431 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
| Oligo-1,6-glucosidase IMA1 CHEMBL5848 | IC50 | 4.07 | 4.07 | 85000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.04 | 4.04 | 92000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-galactosidase | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of bovine liver beta-galactosidase assessed as p-nitrophenol release ... | 12502331 |
| Beta-glucosidase A | IC50 | = | 6700.0 | nM | 5.17 | Inhibition of Caldocellum saccharolyticum beta-glucosidase assessed as D-glucose... | 12502331 |
| Beta-mannosidase | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of rat epididymis beta-mannosidase assessed as p-nitrophenol release ... | 12502331 |
| Oligo-1,6-glucosidase IMA1 | IC50 | = | 85000.0 | nM | 4.07 | Inhibition of yeast alpha-glucosidase assessed as D-glucose release after 30 min... | 12502331 |
| Unchecked | IC50 | = | 92000.0 | nM | 4.04 | Inhibition of rice alpha-glucosidase assessed as D-glucose release after 10 mins... | 12502331 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12502331 | 10.1021/np020296h | Unchecked | 2 |
| 12502331 | 10.1021/np020296h | Acidic alpha-glucosidase | 2 |
| 12502331 | 10.1021/np020296h | Oligo-1,6-glucosidase IMA1 | 1 |
| 12502331 | 10.1021/np020296h | Beta-glucosidase A | 1 |
| 12502331 | 10.1021/np020296h | Beta-mannosidase | 1 |
| 12502331 | 10.1021/np020296h | Beta-galactosidase | 1 |
| 12502331 | 10.1021/np020296h | Tissue alpha-L-fucosidase | 1 |
Data from ChEMBL 36 via Core Engine