Compound Detail
CHEMBL474831
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Basic Information
| ChEMBL ID | CHEMBL474831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWXGGFKBQKUWIK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
288.3
MW (Da)
0.12
ALogP
9
HBA
4
HBD
154.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 166.65 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 62.0 | nM | 7.21 | Inhibition of cathepsin K | 19231183 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19231183 | 10.1016/j.bmcl.2009.01.110 | Cathepsin K | 1 |
| 19231183 | 10.1016/j.bmcl.2009.01.110 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine