Compound Detail
CHEMBL258148
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CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL258148 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTIWAYTTYNFEKL-JOCHJYFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
539.7
MW (Da)
4.28
ALogP
6
HBA
5
HBD
141.4
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Procathepsin L CHEMBL3837 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Procathepsin L | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of cathepsin L | 18060772 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18060772 | 10.1016/j.bmcl.2007.10.107 | Procathepsin L | 1 |
Data from ChEMBL 36 via Core Engine