Compound Detail
CHEMBL163240
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CCCC[C@H](NC(=O)O[C@@H](CCCc1ccccc1)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL163240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXQQIWVURNRGKR-RZFJZAQRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
494.7
MW (Da)
6.16
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 1400.0 | nM | 5.85 | Inhibitory activity against human cathepsin K | 14741275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14741275 | 10.1016/j.bmcl.2003.11.029 | Cathepsin K | 1 |
Data from ChEMBL 36 via Core Engine