Compound Detail
CHEMBL203501
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Basic Information
| ChEMBL ID | CHEMBL203501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJFRDRHGFCXAIX-IWQAVIMZSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
4
Publications
0
Known Names
Molecular Properties
336.5
MW (Da)
1.45
ALogP
5
HBA
2
HBD
100.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 7.14 | 7.14 | 72.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 25.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 26.0 | % | Rattus norvegicus |
| T1/2 | 0.65 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 72.0 | nM | 7.14 | Inhibition of recombinant human cathepsin K in a fluorescence assay | 16290936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16290936 | 10.1016/j.bmcl.2005.10.108 | Rattus norvegicus | 4 |
| 16290936 | 10.1016/j.bmcl.2005.10.108 | Cathepsin K | 1 |
| 16290936 | 10.1016/j.bmcl.2005.10.108 | MDCK | 1 |
| 16290936 | 10.1016/j.bmcl.2005.10.108 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine