Compound Detail
CHEMBL303340
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CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL303340 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | JOZDKRPORTUAIW-KKUMJFAQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
0.31
ALogP
6
HBA
6
HBD
161.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | Ki | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | Ki | = | 4100.0 | nM | 5.39 | Inhibitory activity against hepatitis C virus (HCV) NS3 protease (full-length) | 11206459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11206459 | 10.1016/s0960-894x(00)00625-9 | NS3 | 2 |
Data from ChEMBL 36 via Core Engine