Compound Detail
CHEMBL1808549
MIDESTEINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1808549 |
| Name | MIDESTEINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | MKTVMEMIKNBVHI-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
4
Known Names
Molecular Properties
315.4
MW (Da)
2.16
ALogP
6
HBA
1
HBD
63.2
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
IC50 1 meas. best 6.0
Ki 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Neutrophil elastase CHEMBL248 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human neutrophil elastase using N-methylsuccinyl-Ala-Ala-Pro-Val-7... | 21741848 |
| Neutrophil elastase | Ki | = | 1400.0 | nM | 5.85 | Inhibition of neutrophil elastase in human whole blood using MeO-Succ-Ala-Ala-Pr... | 26358162 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21741848 | 10.1016/j.bmc.2011.06.036 | Neutrophil elastase | 1 |
| 26358162 | 10.1016/j.bmcl.2015.08.049 | Neutrophil elastase | 1 |
Data from ChEMBL 36 via Core Engine