Compound Detail
CHEMBL357595
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CC(C)C[C@H](C=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL357595 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ZHZIDTPZZAWMBN-DFQSSKMNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
433.6
MW (Da)
2.56
ALogP
5
HBA
3
HBD
113.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calpain-1 catalytic subunit CHEMBL3891 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calpain-1 catalytic subunit | IC50 | = | 5.0 | nM | 8.3 | Inhibitory activity evaluated against recombinant human calpain 1 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00063-2 | Calpain-1 catalytic subunit | 1 |
Data from ChEMBL 36 via Core Engine