Compound Detail
CHEMBL365007
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Basic Information
| ChEMBL ID | CHEMBL365007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGJLXDHUTKATFA-JTQLQIEISA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
330.2
MW (Da)
2.98
ALogP
4
HBA
2
HBD
64.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL3349 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 6.8 | 6.8 | 158.0 | 1 |
| Procathepsin L CHEMBL3837 | IC50 | 6.34 | 6.34 | 458.0 | 1 |
| Cathepsin S CHEMBL2954 | IC50 | 6.05 | 6.05 | 897.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 43.0 | nM | 7.37 | Inhibitory concentration against humanized rabbit cathepsin K | 15261289 |
| Cathepsin B | IC50 | = | 158.0 | nM | 6.8 | Inhibitory concentration against human cathepsin B | 15261289 |
| Procathepsin L | IC50 | = | 458.0 | nM | 6.34 | Inhibitory concentration against human cathepsin L | 15261289 |
| Cathepsin S | IC50 | = | 897.0 | nM | 6.05 | Inhibitory concentration against human cathepsin S | 15261289 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15261289 | 10.1016/j.bmcl.2004.05.087 | Cathepsin K | 1 |
| 15261289 | 10.1016/j.bmcl.2004.05.087 | Cathepsin B | 1 |
| 15261289 | 10.1016/j.bmcl.2004.05.087 | Procathepsin L | 1 |
| 15261289 | 10.1016/j.bmcl.2004.05.087 | Cathepsin S | 1 |
| 15261289 | 10.1016/j.bmcl.2004.05.087 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine