Compound Detail
CHEMBL498968
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Basic Information
| ChEMBL ID | CHEMBL498968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWAQHMTWORTVIR-NTMPOCDESA-N |
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
261.3
MW (Da)
-1.95
ALogP
6
HBA
5
HBD
104.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.44 | 5.25 | 3600.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of yeast alpha-glucosidase by spectrophotometry | 15165148 |
| Unchecked | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of Caldocellum saccharolyticum beta-glucosidase by spectrophotometry | 15165148 |
| Unchecked | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of almond beta-glucosidase by spectrophotometry | 15165148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15165148 | 10.1021/np0499721 | Unchecked | 7 |
| 15165148 | 10.1021/np0499721 | Acidic alpha-glucosidase | 1 |
| 15165148 | 10.1021/np0499721 | Beta-galactosidase | 1 |
| 15165148 | 10.1021/np0499721 | Tissue alpha-L-fucosidase | 1 |
| 15165148 | 10.1021/np0499721 | Lysosomal acid glucosylceramidase | 1 |
| 15165148 | 10.1021/np0499721 | Alpha-galactosidase | 1 |
| 15165148 | 10.1021/np0499721 | Beta-mannosidase | 1 |
Data from ChEMBL 36 via Core Engine