Compound Detail
CHEMBL354883
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CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C
Basic Information
| ChEMBL ID | CHEMBL354883 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | FVOBWOKIKIDXMP-FHWLQOOXSA-N |
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
499.5
MW (Da)
3.20
ALogP
5
HBA
2
HBD
104.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 8.8 | 8.7238 | 1.6 | 8 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 1.6 | nM | 8.8 | Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic su... | 8676347 |
| Neutrophil elastase | Ki | = | 1.6 | nM | 8.8 | In vitro inhibitory activity against human neutrophil elastase (HNE) catalyzed h... | 7837243 |
| Neutrophil elastase | Ki | = | 1.6 | nM | 8.8 | Inhibitory activity against Human Neutrophil Elastase using acute lung injury mo... | 9191965 |
| Neutrophil elastase | Ki | = | 1.6 | nM | 8.8 | Inhibition of human neutrophil elastase | 18053726 |
| Neutrophil elastase | Ki | = | 1.6 | nM | 8.8 | Inhibition of human neutrophil elastase | 21413808 |
| Neutrophil elastase | Ki | = | 2.5 | nM | 8.6 | Binding affinity against human leukocyte elastase (HLE) enzyme | 7932559 |
| Neutrophil elastase | Ki | = | 2.5 | nM | 8.6 | In vitro inhibitory activity against human leukocyte elastase was determined | - |
| Neutrophil elastase | Ki | = | 2.6 | nM | 8.59 | Binding affinity for human leukocyte elastase | 9379436 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191965 | 10.1021/jm960819g | Cricetinae gen. sp. | 3 |
| 9379436 | 10.1021/jm970250z | Neutrophil elastase | 1 |
| 9379436 | 10.1021/jm970250z | Cricetinae gen. sp. | 1 |
| 7932559 | 10.1021/jm00046a016 | Neutrophil elastase | 1 |
| - | 10.1016/S0960-894X(00)80066-9 | Neutrophil elastase | 1 |
| 8676347 | 10.1021/jm950684z | Neutrophil elastase | 1 |
| 7837243 | 10.1021/jm00001a013 | Neutrophil elastase | 1 |
| 9191965 | 10.1021/jm960819g | Neutrophil elastase | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Neutrophil elastase | 1 |
| 21413808 | 10.1021/jm1013693 | Neutrophil elastase | 1 |
Data from ChEMBL 36 via Core Engine