Compound Detail
CHEMBL3899927
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Basic Information
| ChEMBL ID | CHEMBL3899927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHAFKHZTZFHSJI-NJDAHSKKSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.7
MW (Da)
2.71
ALogP
5
HBA
5
HBD
96.2
PSA (Ų)
0.18
QED
0
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 40000.0 | nM | 4.4 | 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