Compound Detail
CHEMBL3940374
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Basic Information
| ChEMBL ID | CHEMBL3940374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSQKAGMVJPEDAE-SKKYYZJYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
244.4
MW (Da)
0.69
ALogP
4
HBA
2
HBD
56.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 14000.0 | nM | 4.85 | Competitive inhibition of almond beta-glucosidase using beta-D-glycopyranoside a... | 26361824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26361824 | 10.1016/j.ejmech.2015.08.038 | Unchecked | 7 |
| 26361824 | 10.1016/j.ejmech.2015.08.038 | Alpha-galactosidase | 1 |
| 26361824 | 10.1016/j.ejmech.2015.08.038 | Beta-galactosidase | 1 |
| 26361824 | 10.1016/j.ejmech.2015.08.038 | Alpha-mannosidase | 1 |
Data from ChEMBL 36 via Core Engine