Compound Detail
CHEMBL262398
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)c1ccc(CC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(C)C)B2O[C@@H]3C[C@@H]4C[C@@H](C4(C)C)[C@]3(C)O2)cc1
Basic Information
| ChEMBL ID | CHEMBL262398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQFZQANUUQNKOW-RJKVPWIASA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
894.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.35
Ki 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Neutrophil elastase CHEMBL248 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | Ki | = | 5.0 | nM | 8.3 | Binding affinity against Hepatitis C virus NS3 protease | 12372533 |
| Neutrophil elastase | IC50 | = | 450.0 | nM | 6.35 | Inhibitory concentration against Human leukocyte Elastase | 12372533 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12372533 | 10.1016/s0960-894x(02)00682-0 | NS3 | 1 |
| 12372533 | 10.1016/s0960-894x(02)00682-0 | Neutrophil elastase | 1 |
| 12372533 | 10.1016/s0960-894x(02)00682-0 | Chymotrypsin-C | 1 |
Data from ChEMBL 36 via Core Engine