Compound Detail
CHEMBL3605412
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Basic Information
| ChEMBL ID | CHEMBL3605412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLPBVLCRUFBDEO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.3
MW (Da)
1.81
ALogP
5
HBA
2
HBD
125.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | Ki | 6.94 | 6.94 | 114.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | Ki | = | 114.0 | nM | 6.94 | Inhibition of human cathepsin-K using Z-Gly-Pro-Arg-AMC as substrate preincubate... | 26280490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26280490 | 10.1021/acs.jmedchem.5b00746 | Cathepsin K | 1 |
| 26280490 | 10.1021/acs.jmedchem.5b00746 | Procathepsin L | 1 |
| 26280490 | 10.1021/acs.jmedchem.5b00746 | Cathepsin S | 1 |
Data from ChEMBL 36 via Core Engine