Compound Detail
CHEMBL64867
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CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CS)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL64867 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | FCGQLGIFPLXKQV-QUQVWLGBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
865.0
MW (Da)
-0.72
ALogP
12
HBA
11
HBD
323.8
PSA (Ų)
0.05
QED
3
Ro5 Violations
26
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | Ki | 6.4 | 6.38 | 400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | Ki | = | 400.0 | nM | 6.4 | Inhibitory activity against hepatitis C virus (HCV) NS3 protease (isolated domai... | 11206459 |
| NS3 | Ki | = | 440.0 | nM | 6.36 | 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