Compound Detail
CHEMBL2207568
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 | CHEMBL2207568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGFVYKISJPITRX-SFHVURJKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
3.58
ALogP
6
HBA
1
HBD
83.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin S CHEMBL2954 | IC50 | 8.96 | 8.3 | 1.1 | 2 |
| Procathepsin L CHEMBL3837 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin S | IC50 | = | 1.1 | nM | 8.96 | Inhibition of cathepsin S using FR-aminoluciferin as substrate preincubated for ... | 23084902 |
| Cathepsin S | IC50 | = | 23.0 | nM | 7.64 | Inhibition of cathepsin S-mediated antigen presentation in B/T hybridoma cells a... | 23084902 |
| Procathepsin L | IC50 | = | 1300.0 | nM | 5.89 | 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