Compound Detail
CHEMBL404801
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CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)C1=O
Basic Information
| ChEMBL ID | CHEMBL404801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQSZYLJEZOPGFG-LJWNLINESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
608.7
MW (Da)
4.00
ALogP
7
HBA
4
HBD
151.9
PSA (Ų)
0.25
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | Ki | 7.25 | 7.25 | 56.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | Ki | = | 56.0 | nM | 7.25 | Inhibition of cathepsin K | 9733481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9733481 | 10.1021/jm980295f | Cathepsin K | 1 |
Data from ChEMBL 36 via Core Engine