Compound Detail
CHEMBL488156
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Basic Information
| ChEMBL ID | CHEMBL488156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJRUOSSQTZGFJV-IECVIRLLSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
193.2
MW (Da)
-3.61
ALogP
6
HBA
6
HBD
113.2
PSA (Ų)
0.28
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-glucosidase A CHEMBL4622 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Beta-galactosidase CHEMBL3482 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Beta-mannosidase CHEMBL3431 | IC50 | 4.28 | 4.28 | 53000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.02 | 4.02 | 95000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-glucosidase A | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of Caldocellum saccharolyticum beta-glucosidase assessed as D-glucose... | 12502331 |
| Beta-galactosidase | IC50 | = | 4400.0 | nM | 5.36 | Inhibition of bovine liver beta-galactosidase assessed as p-nitrophenol release ... | 12502331 |
| Beta-mannosidase | IC50 | = | 53000.0 | nM | 4.28 | Inhibition of rat epididymis beta-mannosidase assessed as p-nitrophenol release ... | 12502331 |
| Unchecked | IC50 | = | 95000.0 | nM | 4.02 | 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