Compound Detail
CHEMBL4746320
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Basic Information
| ChEMBL ID | CHEMBL4746320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMEQSJMQLUNMOD-YRNVUSSQSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
4.16
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 4.81 | 4.81 | 15610.0 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 4.8 | 4.8 | 15650.0 | 1 |
| Calpain-1 catalytic subunit CHEMBL3891 | IC50 | 4.62 | 4.62 | 23820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 15610.0 | nM | 4.81 | Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate preincuba... | 27318120 |
| Cathepsin B | IC50 | = | 15650.0 | nM | 4.8 | Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate preincubate... | 27318120 |
| Calpain-1 catalytic subunit | IC50 | = | 23820.0 | nM | 4.62 | Inhibition of human erythrocytes mu-calpain using Pep1 as substrate incubated fo... | 27318120 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27318120 | 10.1016/j.ejmech.2016.06.008 | Calpain-1 catalytic subunit | 1 |
| 27318120 | 10.1016/j.ejmech.2016.06.008 | Cathepsin B | 1 |
| 27318120 | 10.1016/j.ejmech.2016.06.008 | Procathepsin L | 1 |
Data from ChEMBL 36 via Core Engine