Compound Detail
CHEMBL320103
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CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](C(=O)N1CCC[C@@H]1C(=O)N[C@H](B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1)c1ccccc1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL320103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHOUVKREXGQEMQ-GGSJOBSKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
824.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | Ki | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | Ki | = | 900.0 | nM | 6.05 | Binding affinity against Hepatitis C virus NS3 protease | 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