Compound Detail
CHEMBL3125636
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Cc1c(Cl)nc(NC(=O)NC(C)(C)C)c(=O)n1C(C(=O)NC(CC1CCC1)C(=O)C(N)=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3125636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFSPUCKPTMVRAN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
545.0
MW (Da)
2.44
ALogP
7
HBA
4
HBD
165.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 6200.0 | nM | 5.21 | Inhibition of full-length wild-type HCV NS3 protease | 23517538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23517538 | 10.1021/jm301887f | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine