Compound Detail
CHEMBL131580
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1nc2cc(C(=O)ON)ccc2o1
Basic Information
| ChEMBL ID | CHEMBL131580 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | DRMWRNTZPGZKCV-HVCNVCAESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
607.7
MW (Da)
3.12
ALogP
10
HBA
3
HBD
183.2
PSA (Ų)
0.22
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neutrophil elastase CHEMBL248 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neutrophil elastase | Ki | = | 1.0 | nM | 9.0 | Inhibition of human neutrophil elastase-catalyzed hydrolysis of the synthetic su... | 7562931 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562931 | 10.1021/jm00020a011 | Neutrophil elastase | 1 |
Data from ChEMBL 36 via Core Engine