Compound Detail
CHEMBL424111
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Basic Information
| ChEMBL ID | CHEMBL424111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROKVTLBAZVSPQM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.8
MW (Da)
1.53
ALogP
7
HBA
0
HBD
98.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 7.85 | 7.85 | 14.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.25 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 14.0 | nM | 7.85 | Potency of inhibition of human leukocyte elastase is expressed as apparent bindi... | 7473596 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473596 | 10.1021/jm00023a008 | Neutrophil elastase | 2 |
| 7473596 | 10.1021/jm00023a008 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine