Compound Detail
CHEMBL94805
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Basic Information
| ChEMBL ID | CHEMBL94805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACNRTYKOPZDRCO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
159.2
MW (Da)
0.71
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 5800.0 | nM | 5.24 | Inhibitory activity against recombinant human cathepsin K | 14684342 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14684342 | 10.1016/j.bmcl.2003.09.088 | Cathepsin K | 1 |
| 38630165 | 10.1021/acs.jmedchem.3c02351 | Procathepsin L | 1 |
Data from ChEMBL 36 via Core Engine