Compound Detail
CHEMBL434132
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CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)c1nc(C(=O)OCC)cs1
Basic Information
| ChEMBL ID | CHEMBL434132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONPACQFCYQXXFC-PMACEKPBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
517.6
MW (Da)
4.52
ALogP
8
HBA
2
HBD
123.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of 10 uM Cbz-Phe-Arg-AMC binding to human cathepsin K by fluorescence... | 15993587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15993587 | 10.1016/j.bmcl.2005.05.091 | Cathepsin K | 1 |
Data from ChEMBL 36 via Core Engine