Compound Detail
CHEMBL259183
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CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)SC1CCN(c2ccccc2)C1=O
Basic Information
| ChEMBL ID | CHEMBL259183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWOMUCNWJXFRMD-HMTLIYDFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
537.6
MW (Da)
3.88
ALogP
6
HBA
4
HBD
132.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 110.0 | nM | 6.96 | 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