Compound Detail
CHEMBL425364
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Basic Information
| ChEMBL ID | CHEMBL425364 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEVCWNIQSBMQIX-RFLLOBDJSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
-1.64
ALogP
6
HBA
6
HBD
105.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Ki 2 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-mannosidase CHEMBL4193 | Ki | 5.87 | 5.87 | 1350.0 | 1 |
| Alpha-mannosidase CHEMBL4193 | IC50 | 5.52 | 5.45 | 3000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-mannosidase | Ki | = | 1350.0 | nM | 5.87 | Binding affinity towards alpha-Mannosidase isolated from Jack bean | 15974577 |
| Alpha-mannosidase | IC50 | = | 3000.0 | nM | 5.52 | Concentration of compound inhibiting alpha-Mannosidase isolated from Jack bean | 15974577 |
| Alpha-mannosidase | IC50 | = | 4200.0 | nM | 5.38 | Concentration of compound inhibiting alpha-Mannosidase isolated from Jack bean | 15974577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974577 | 10.1021/jm0409019 | Alpha-mannosidase | 6 |
Data from ChEMBL 36 via Core Engine