Compound Detail
CHEMBL195505
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Basic Information
| ChEMBL ID | CHEMBL195505 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSIVRPBUNKODPD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
4.01
ALogP
5
HBA
3
HBD
80.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin K CHEMBL268 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| Procathepsin L CHEMBL3837 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
| Cathepsin S CHEMBL2954 | IC50 | 6.04 | 6.04 | 902.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin K | IC50 | = | 4.6 | nM | 8.34 | Inhibitory activity against cathepsin K using humanized rabbit enzyme | 16154747 |
| Procathepsin L | IC50 | = | 68.0 | nM | 7.17 | Inhibitory activity against cathepsin L from human | 16154747 |
| Cathepsin S | IC50 | = | 902.0 | nM | 6.04 | Inhibitory activity against cathepsin S from human | 16154747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16154747 | 10.1016/j.bmcl.2005.07.071 | Cathepsin K | 1 |
| 16154747 | 10.1016/j.bmcl.2005.07.071 | Cathepsin B | 1 |
| 16154747 | 10.1016/j.bmcl.2005.07.071 | Procathepsin L | 1 |
| 16154747 | 10.1016/j.bmcl.2005.07.071 | Cathepsin S | 1 |
Data from ChEMBL 36 via Core Engine