Compound Detail
CHEMBL562462
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 | CHEMBL562462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJVAZVIZFQCHAQ-INIZCTEOSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
387.9
MW (Da)
2.18
ALogP
5
HBA
2
HBD
99.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 7.1 | 7.1 | 79.4 | 1 |
| Cathepsin L2 CHEMBL3272 | IC50 | 6.3 | 6.3 | 501.2 | 1 |
| Cathepsin S CHEMBL2954 | IC50 | 6.1 | 6.1 | 794.3 | 1 |
| Cathepsin K CHEMBL268 | IC50 | 5.7 | 5.7 | 1995.3 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 5.3 | 5.3 | 5011.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 79.43 | nM | 7.1 | Inhibition of cathepsin L | 19515558 |
| Cathepsin L2 | IC50 | = | 501.19 | nM | 6.3 | Inhibition of cathepsin L2 | 19515558 |
| Cathepsin S | IC50 | = | 794.33 | nM | 6.1 | Inhibition of cathepsin S | 19515558 |
| Cathepsin K | IC50 | = | 1995.26 | nM | 5.7 | Inhibition of cathepsin K | 19515558 |
| Cathepsin B | IC50 | = | 5011.87 | nM | 5.3 | Inhibition of cathepsin B | 19515558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19515558 | 10.1016/j.bmcl.2009.05.071 | Procathepsin L | 1 |
| 19515558 | 10.1016/j.bmcl.2009.05.071 | Cathepsin L2 | 1 |
| 19515558 | 10.1016/j.bmcl.2009.05.071 | Cathepsin S | 1 |
| 19515558 | 10.1016/j.bmcl.2009.05.071 | Cathepsin K | 1 |
| 19515558 | 10.1016/j.bmcl.2009.05.071 | Cathepsin B | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine