Compound Detail
CHEMBL147676
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CC(C)[C@@H](NC(=O)Cn1c(-c2ccccc2)ncc(N)c1=O)C(=O)c1nnc(C(C)(C)C)o1
Basic Information
| ChEMBL ID | CHEMBL147676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSIHYROEMJSOAS-QGZVFWFLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
2.20
ALogP
9
HBA
2
HBD
146.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 7.54 | 7.54 | 29.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 29.1 | nM | 7.54 | Inhibition of human neutrophil elastase HNE, hydrolysis of MeO-Suc-Ala-Ala-Pro-V... | 11150162 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11150162 | 10.1021/jm0004087 | Neutrophil elastase | 2 |
Data from ChEMBL 36 via Core Engine