Compound Detail
CHEMBL371954
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL371954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVGXUGNWPUHTTJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
6
PK Parameters
6
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
4.94
ALogP
3
HBA
1
HBD
52.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 8.43 | 8.405 | 3.7 | 2 |
| Cathepsin K CHEMBL3349 | IC50 | 8.43 | 8.175 | 3.7 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 25.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 21.0 | mL.min-1.kg-1 | Saimiri sciureus |
| F | 88.0 | % | Rattus norvegicus |
| F | 28.0 | % | Saimiri sciureus |
| T1/2 | 1.5 | hr | Rattus norvegicus |
| T1/2 | 0.8 | hr | Saimiri sciureus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 3.7 | nM | 8.43 | Inhibitory activity against humanized rabbit Cathepsin K | 16451072 |
| Cathepsin K | IC50 | = | 3.7 | nM | 8.43 | Inhibitory activity against rabbit Cathepsin K | 16451072 |
| Cathepsin K | IC50 | = | 4.2 | nM | 8.38 | Inhibitory activity against humanized rabbit Cathepsin K | 16451072 |
| Cathepsin K | IC50 | = | 12.0 | nM | 7.92 | Inhibitory activity against rabbit Cathepsin K | 16451072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16451072 | 10.1021/jm051059p | Cathepsin K | 4 |
| 16451072 | 10.1021/jm051059p | Rattus norvegicus | 3 |
| 16451072 | 10.1021/jm051059p | Squirrel monkey | 3 |
| 16451072 | 10.1021/jm051059p | Cathepsin (L and K) | 2 |
| 16451072 | 10.1021/jm051059p | Cathepsin (B and K) | 2 |
| 16451072 | 10.1021/jm051059p | Cathepsin (S and K) | 2 |
Data from ChEMBL 36 via Core Engine