Compound Detail
CHEMBL3960509
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Basic Information
| ChEMBL ID | CHEMBL3960509 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFFKFXDQHPLRHS-VABKMULXSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
474.7
MW (Da)
3.28
ALogP
6
HBA
4
HBD
102.3
PSA (Ų)
0.14
QED
0
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.11 | 4.11 | 77000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 77000.0 | nM | 4.11 | Competitive inhibition of bovine liver cytosolic beta-glucosidase using beta-D-g... | 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