Compound Detail
CHEMBL401731
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CCCC[C@H](N)C(=O)N[C@H]1CSSC[C@H](N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC1=O
Basic Information
| ChEMBL ID | CHEMBL401731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMGCLLSEBZVOEQ-VRGCNMPZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1193.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| Pancreatic elastase CHEMBL2096984 | Ki | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 130.0 | nM | 6.89 | Inhibition of human leukocyte elastase | 17470393 |
| Pancreatic elastase | Ki | = | 6700.0 | nM | 5.17 | Inhibition of porcine pancreatic elastase | 17470393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17470393 | 10.1016/j.bmc.2007.03.082 | Neutrophil elastase | 1 |
| 17470393 | 10.1016/j.bmc.2007.03.082 | Pancreatic elastase | 1 |
Data from ChEMBL 36 via Core Engine