Compound Detail
CHEMBL208325
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CC(C)CCN1C(=O)C(C2=NS(=O)(=O)c3ccccc3N2)=C(O)[C@@H]1Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL208325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWSXVQQMDSSWGP-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
3.51
ALogP
5
HBA
2
HBD
99.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 5.45 | 5.45 | 3567.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 3567.0 | nM | 5.45 | Inhibition of HCV NS5B RNA dependent RNA polymerase | 16455253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16455253 | 10.1016/j.bmcl.2006.01.034 | RNA-directed RNA polymerase | 1 |
| 16455253 | 10.1016/j.bmcl.2006.01.034 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine