Compound Detail
CHEMBL51377
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Basic Information
| ChEMBL ID | CHEMBL51377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ULEMAXQVUZNDFP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
255.2
MW (Da)
0.35
ALogP
5
HBA
0
HBD
80.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 6.99 | 6.99 | 102.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 102.0 | nM | 6.99 | In vitro inhibition constant of human leukocyte elastase. | 8064791 |
| Neutrophil elastase | Ki | = | 102.0 | nM | 6.99 | Potency of Inhibition of human leukocyte elastase (HLE) expressed as apparent bi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80374-7 | Neutrophil elastase | 3 |
| 8064791 | 10.1021/jm00043a001 | Neutrophil elastase | 2 |
| 8064791 | 10.1021/jm00043a001 | ADMET | 1 |
| 8230105 | 10.1021/jm00073a019 | Neutrophil elastase | 1 |
Data from ChEMBL 36 via Core Engine