Compound Detail
CHEMBL119285
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CC(C)C[C@@H](CN1CC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccncc2)C1)NC(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL119285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCGCXDDZHQMZQY-TXIPYEPDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
581.7
MW (Da)
3.43
ALogP
8
HBA
3
HBD
139.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| Procathepsin L CHEMBL3837 | Ki | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | Ki | = | 3.5 | nM | 8.46 | Inhibition of cathepsin K | 9733481 |
| Procathepsin L | Ki | = | 120.0 | nM | 6.92 | Inhibition of cathepsin L | 9733481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9733481 | 10.1021/jm980295f | Cathepsin K | 1 |
| 9733481 | 10.1021/jm980295f | Cathepsin B | 1 |
| 9733481 | 10.1021/jm980295f | Procathepsin L | 1 |
Data from ChEMBL 36 via Core Engine