Compound Detail
CHEMBL202310
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CCOC(=O)CNc1ccc2c(c1)c(O)c(C1=NS(=O)(=O)c3ccccc3N1)c(=O)n2CCC(C)C
Basic Information
| ChEMBL ID | CHEMBL202310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGFBGXULTNAQFC-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
512.6
MW (Da)
3.29
ALogP
9
HBA
3
HBD
139.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.58
IC50 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 6.94 | 6.94 | 115.0 | 1 |
| RNA-directed RNA polymerase CHEMBL4296320 | EC50 | 6.58 | 6.58 | 265.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 115.0 | nM | 6.94 | Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay | 16451063 |
| RNA-directed RNA polymerase | EC50 | = | 265.0 | nM | 6.58 | Inhibition of HCV RNA replication in Huh7 cells | 16451063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16451063 | 10.1021/jm050855s | RNA-directed RNA polymerase | 3 |
Data from ChEMBL 36 via Core Engine