Compound Detail
CHEMBL4786246
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Basic Information
| ChEMBL ID | CHEMBL4786246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMCVFSDYJURTAK-JHMJBTLWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
3.85
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL3891 | IC50 | 4.86 | 4.86 | 13700.0 | 1 |
| Procathepsin L CHEMBL3837 | IC50 | 4.58 | 4.58 | 26120.0 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 4.48 | 4.48 | 33060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-1 catalytic subunit | IC50 | = | 13700.0 | nM | 4.86 | Inhibition of human erythrocytes mu-calpain using Pep1 as substrate incubated fo... | 27318120 |
| Procathepsin L | IC50 | = | 26120.0 | nM | 4.58 | Inhibition of cathepsin L (unknown origin) using Z-FR-AMC as substrate preincuba... | 27318120 |
| Cathepsin B | IC50 | = | 33060.0 | nM | 4.48 | Inhibition of cathepsin B (unknown origin) using RR-AMC as substrate preincubate... | 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