Compound Detail
CHEMBL170962
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O=C(N[C@@H](CCc1ccccc1)CNc1ccc(N2CCCCC2)cc1)C1CCCN1C(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL170962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZKLRYNDKQXBDX-TZYYSAMKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
554.7
MW (Da)
6.01
ALogP
5
HBA
2
HBD
73.9
PSA (Ų)
0.30
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| Procathepsin L CHEMBL3837 | Ki | 5.11 | 5.11 | 7844.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | Ki | = | 12.0 | nM | 7.92 | Inhibitory activity against recombinant human cathepsin K | 14684304 |
| Procathepsin L | Ki | = | 7844.0 | nM | 5.11 | Inhibitory activity against recombinant human cathepsin L | 14684304 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14684304 | 10.1016/j.bmcl.2003.10.009 | Cathepsin K | 1 |
| 14684304 | 10.1016/j.bmcl.2003.10.009 | Procathepsin L | 1 |
| 14684304 | 10.1016/j.bmcl.2003.10.009 | Cathepsin B | 1 |
Data from ChEMBL 36 via Core Engine