Compound Detail
CHEMBL1236882
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 | CHEMBL1236882 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRSOCWQJNYLTDD-SFHVURJKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
1.47
ALogP
5
HBA
2
HBD
97.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin S CHEMBL2954 | IC50 | 9.05 | 8.935 | 0.9 | 2 |
| Procathepsin L CHEMBL3837 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin S | IC50 | = | 0.9 | nM | 9.05 | Inhibition of cathepsin S-mediated antigen presentation in B/T hybridoma cells a... | 23084902 |
| Cathepsin S | IC50 | = | 1.5 | nM | 8.82 | Inhibition of cathepsin S using FR-aminoluciferin as substrate preincubated for ... | 23084902 |
| Procathepsin L | IC50 | = | 990.0 | nM | 6.0 | Inhibition of cathepsin L using FR-aminoluciferin as substrate preincubated for ... | 23084902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23084902 | 10.1016/j.bmcl.2012.09.054 | Cathepsin S | 2 |
| 23084902 | 10.1016/j.bmcl.2012.09.054 | Procathepsin L | 1 |
Data from ChEMBL 36 via Core Engine