Compound Detail
CHEMBL372979
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Basic Information
| ChEMBL ID | CHEMBL372979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPRPGHWVFIVNRD-LSLKUGRBSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
406.2
MW (Da)
3.70
ALogP
3
HBA
2
HBD
64.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 9.05 | 8.97 | 0.9 | 2 |
| Procathepsin L CHEMBL3837 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Cathepsin S CHEMBL2954 | IC50 | 6.92 | 6.92 | 121.0 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 5.47 | 5.47 | 3353.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 0.9 | nM | 9.05 | Inhibitory activity against cathepsin K from humanized rabbit enzyme | 16154747 |
| Cathepsin K | IC50 | = | 1.3 | nM | 8.89 | Inhibitory activity against cathepsin K using humanized rabbit enzyme | 16154747 |
| Procathepsin L | IC50 | = | 34.0 | nM | 7.47 | Inhibitory activity against cathepsin L from human | 16154747 |
| Cathepsin S | IC50 | = | 121.0 | nM | 6.92 | Inhibitory activity against cathepsin S from human | 16154747 |
| Cathepsin B | IC50 | = | 3353.0 | nM | 5.47 | Inhibitory activity against cathepsin B from human | 16154747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16154747 | 10.1016/j.bmcl.2005.07.071 | Cathepsin K | 3 |
| 16154747 | 10.1016/j.bmcl.2005.07.071 | Cathepsin B | 1 |
| 16154747 | 10.1016/j.bmcl.2005.07.071 | Procathepsin L | 1 |
| 16154747 | 10.1016/j.bmcl.2005.07.071 | Cathepsin S | 1 |
Data from ChEMBL 36 via Core Engine