Compound Detail
CHEMBL11758
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Basic Information
| ChEMBL ID | CHEMBL11758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOXWWHJSAFYKMP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.3
MW (Da)
3.35
ALogP
6
HBA
0
HBD
90.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 9.77 | 9.77 | 0.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1667 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 0.17 | nM | 9.77 | Inhibition of Human Leukocyte Elastase (HLE) as apparent binding constant (kreac... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(94)00466-S | Neutrophil elastase | 3 |
| - | 10.1016/0960-894X(94)00466-S | ADMET | 1 |
Data from ChEMBL 36 via Core Engine