Compound Detail
CHEMBL206461
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Basic Information
| ChEMBL ID | CHEMBL206461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOBWPWFLKIDCCI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
6.10
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nonstructural protein 5A CHEMBL3307224 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 3200.0 | nM | 5.5 | Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase | 16455252 |
| Nonstructural protein 5A | IC50 | = | 3200.0 | nM | 5.5 | Binding affinity to HCV NS5A polymerase | 30639895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16455252 | 10.1016/j.bmcl.2006.01.032 | RNA-directed RNA polymerase | 1 |
| 30639895 | 10.1016/j.ejmech.2018.12.045 | Nonstructural protein 5A | 1 |
Data from ChEMBL 36 via Core Engine