Compound Detail
CHEMBL250121
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
CS(=O)(=O)C[C@H](N[C@@H](c1cccc(F)c1)C(F)(F)F)C(=O)NC1(C#N)CC1
Basic Information
| ChEMBL ID | CHEMBL250121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOVJOXGELNYKFE-STQMWFEESA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
407.4
MW (Da)
1.60
ALogP
5
HBA
2
HBD
99.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cathepsin S CHEMBL2954 | IC50 | 8.19 | 8.19 | 6.4 | 1 |
| Cathepsin K CHEMBL268 | IC50 | 6.5 | 6.5 | 314.0 | 1 |
| Procathepsin L CHEMBL3837 | IC50 | 6.04 | 6.04 | 911.0 | 1 |
| Cathepsin B CHEMBL4072 | IC50 | 5.41 | 5.41 | 3854.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cathepsin S | IC50 | = | 6.4 | nM | 8.19 | Inhibition of human cathepsin S | 17590332 |
| Cathepsin K | IC50 | = | 314.0 | nM | 6.5 | Inhibition of human cathepsin K | 17590332 |
| Procathepsin L | IC50 | = | 911.0 | nM | 6.04 | Inhibition of human cathepsin L | 17590332 |
| Cathepsin B | IC50 | = | 3854.0 | nM | 5.41 | Inhibition of human cathepsin B | 17590332 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17590332 | 10.1016/j.bmcl.2007.06.023 | Cathepsin S | 1 |
| 17590332 | 10.1016/j.bmcl.2007.06.023 | Cathepsin K | 1 |
| 17590332 | 10.1016/j.bmcl.2007.06.023 | Cathepsin B | 1 |
| 17590332 | 10.1016/j.bmcl.2007.06.023 | Procathepsin L | 1 |
Data from ChEMBL 36 via Core Engine