Compound Detail
CHEMBL4744044
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Basic Information
| ChEMBL ID | CHEMBL4744044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYYLINAZBVXIDU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
232.2
MW (Da)
1.39
ALogP
6
HBA
0
HBD
90.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.563 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | IC50 | = | 21.0 | nM | 7.68 | Inhibition of human neutrophil elastase using N-methylsuccinyl-Ala-Ala-Pro-Val-7... | 33218895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33218895 | 10.1016/j.bmc.2020.115836 | Neutrophil elastase | 1 |
| 33218895 | 10.1016/j.bmc.2020.115836 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine