Compound Detail
CHEMBL439034
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Basic Information
| ChEMBL ID | CHEMBL439034 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLUGCEBXLFHKKL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
3.36
ALogP
6
HBA
1
HBD
76.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 5.0 | 5.0 | 9950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 9950.0 | nM | 5.0 | Antiviral activity against HCV in Huh7-Rep cells by luciferase assay | 17289388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17289388 | 10.1016/j.bmcl.2007.01.046 | Hepatitis C virus | 1 |
| 17289388 | 10.1016/j.bmcl.2007.01.046 | MT4 | 1 |
| 17289388 | 10.1016/j.bmcl.2007.01.046 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine