Compound Detail
CHEMBL162175
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CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCN(C(=O)[C@H](CC(C)C)N(C)C(=O)OCc2ccccc2)CC1=O
Basic Information
| ChEMBL ID | CHEMBL162175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTDMZLMRXGXCAE-KEKPXRHTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
622.8
MW (Da)
4.30
ALogP
7
HBA
2
HBD
134.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | Ki | 8.72 | 8.72 | 1.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | Ki | = | 1.9 | nM | 8.72 | In vitro inhibition of human Cathepsin K. | 11262083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11262083 | 10.1021/jm000320t | Cathepsin K | 1 |
Data from ChEMBL 36 via Core Engine