Compound Detail
CHEMBL379613
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NS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)NC(c1c(O)c3ccccc3n(NC3CCC3)c1=O)=N2
Basic Information
| ChEMBL ID | CHEMBL379613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJLDOPYVVWWDLS-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
0.79
ALogP
9
HBA
5
HBD
185.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.52
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 9.4 | 8.84 | 0.4 | 2 |
| Hepatitis C virus CHEMBL379 | EC50 | 8.52 | 7.805 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 0.4 | nM | 9.4 | Inhibition of HCV 1b NS5B RNA polymerase | 16650764 |
| Hepatitis C virus | EC50 | = | 3.0 | nM | 8.52 | Inhibition of HCV 1b replication in presence of 5% fetal calf serum | 16650764 |
| RNA-directed RNA polymerase | IC50 | = | 5.2 | nM | 8.28 | Inhibition of HCV 1a NS5B RNA polymerase | 16650764 |
| Hepatitis C virus | EC50 | = | 81.0 | nM | 7.09 | Inhibition of HCV 1b replication in presence of 40% human serum | 16650764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16650764 | 10.1016/j.bmcl.2006.04.015 | Hepatitis C virus | 2 |
| 16650764 | 10.1016/j.bmcl.2006.04.015 | RNA-directed RNA polymerase | 2 |
Data from ChEMBL 36 via Core Engine