Compound Detail
CHEMBL157261
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COC(=O)C(=O)[C@@H](NC(=O)C1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL157261 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLAWLTHVLZKWLZ-RMKCDROESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
720.2
MW (Da)
0.96
ALogP
10
HBA
4
HBD
214.2
PSA (Ų)
0.17
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 2.0 | nM | 8.7 | Tested for rate of substrate hydrolysis in the presence of human neutrophil elas... | 9871629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871629 | 10.1016/s0960-894x(97)10184-6 | Neutrophil elastase | 1 |
Data from ChEMBL 36 via Core Engine