Compound Detail
CHEMBL383612
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Basic Information
| ChEMBL ID | CHEMBL383612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GLZDKRQTDOWMEO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
3
PK Parameters
5
Publications
0
Known Names
Molecular Properties
433.4
MW (Da)
5.77
ALogP
3
HBA
1
HBD
52.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 9.24 | 9.24 | 0.6 | 1 |
| Cathepsin K CHEMBL3349 | IC50 | 9.23 | 9.23 | 0.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 51.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 75.0 | % | Rattus norvegicus |
| T1/2 | 3.1 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 0.58 | nM | 9.24 | Inhibitory activity against humanized rabbit Cathepsin K | 16451072 |
| Cathepsin K | IC50 | = | 0.59 | nM | 9.23 | Inhibitory activity against rabbit Cathepsin K | 16451072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16451072 | 10.1021/jm051059p | Rattus norvegicus | 3 |
| 16451072 | 10.1021/jm051059p | Cathepsin K | 2 |
| 16451072 | 10.1021/jm051059p | Cathepsin (L and K) | 1 |
| 16451072 | 10.1021/jm051059p | Cathepsin (B and K) | 1 |
| 16451072 | 10.1021/jm051059p | Cathepsin (S and K) | 1 |
Data from ChEMBL 36 via Core Engine