Compound Detail
CHEMBL403896
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CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)[C@H](C)OC(=O)CC[C@@H]2NC(=O)[C@@H]3COC(=O)C[C@H](NC(=O)[C@H](Cc4cc5ccccc5[nH]4)NC2=O)C(=O)N[C@H](C(=O)O)CC(=O)NCCCC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N3
Basic Information
| ChEMBL ID | CHEMBL403896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBJRDBYSSAEARM-WSFPPIIISA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1284.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.57
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Pancreatic elastase CHEMBL2096984 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 10.0 | nM | 8.0 | Inhibition of human leukocyte elastase | 17470393 |
| Pancreatic elastase | IC50 | = | 270.0 | nM | 6.57 | Inhibition of porcine pancreatic elastase | 17470393 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17470393 | 10.1016/j.bmc.2007.03.082 | Pancreatic elastase | 1 |
| 17470393 | 10.1016/j.bmc.2007.03.082 | Neutrophil elastase | 1 |
Data from ChEMBL 36 via Core Engine