Compound Detail
CHEMBL5598296
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Basic Information
| ChEMBL ID | CHEMBL5598296 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXBNNVBCJXBAPU-ZFWWWQNUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
1.64
ALogP
3
HBA
1
HBD
73.2
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | Ki | 6.4 | 6.4 | 398.1 | 1 |
| Cathepsin S CHEMBL2954 | Ki | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | Ki | = | 398.11 | nM | 6.4 | Binding affinity to human Cathepsin K assessed as inhibition constant | 39002936 |
| Cathepsin S | Ki | = | 7943.28 | nM | 5.1 | Binding affinity to human Cathepsin S assessed as inhibition constant | 39002936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39002936 | 10.1016/j.bmcl.2024.129887 | Cathepsin B | 1 |
| 39002936 | 10.1016/j.bmcl.2024.129887 | Cathepsin K | 1 |
| 39002936 | 10.1016/j.bmcl.2024.129887 | Procathepsin L | 1 |
| 39002936 | 10.1016/j.bmcl.2024.129887 | Cathepsin S | 1 |
Data from ChEMBL 36 via Core Engine