Compound Detail
CHEMBL425221
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CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(NCC(=O)O)ccc21
Basic Information
| ChEMBL ID | CHEMBL425221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPIWSNGQKVGNKB-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
2.81
ALogP
8
HBA
4
HBD
150.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.6
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| RNA-directed RNA polymerase CHEMBL4296320 | EC50 | 5.6 | 5.6 | 2492.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 21.0 | nM | 7.68 | Inhibitory activity against HCV delta 21 NS5B RNA polymerase by SPA assay | 16451063 |
| RNA-directed RNA polymerase | EC50 | = | 2492.0 | nM | 5.6 | 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