Compound Detail
CHEMBL259451
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
CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL259451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWQLHHFJRSCMOV-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
3.80
ALogP
6
HBA
4
HBD
125.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 6.94 | 6.94 | 115.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 115.0 | nM | 6.94 | Inhibition of human cathepsin L | 18499453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18499453 | 10.1016/j.bmcl.2008.04.065 | Procathepsin L | 1 |
Data from ChEMBL 36 via Core Engine