Compound Detail
CHEMBL88117
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Basic Information
| ChEMBL ID | CHEMBL88117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIXMRKBFKPKBDW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
1.66
ALogP
7
HBA
0
HBD
99.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 8.0 | nM | 8.1 | In vitro inhibition constant of human leukocyte elastase. | 8064791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8064791 | 10.1021/jm00043a001 | Neutrophil elastase | 2 |
| 8064791 | 10.1021/jm00043a001 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine