Compound Detail
CHEMBL389383
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Basic Information
| ChEMBL ID | CHEMBL389383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVTAPDQOWYWGMM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
287.7
MW (Da)
3.19
ALogP
5
HBA
0
HBD
60.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.6
Ki 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Neutrophil elastase CHEMBL248 | Ki | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of human urokinase | 17850059 |
| Neutrophil elastase | Ki | = | 3100.0 | nM | 5.51 | Inhibition of human NE | 17850059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17850059 | 10.1021/jm070600+ | Neutrophil elastase | 1 |
| 17850059 | 10.1021/jm070600+ | Urokinase-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine