Compound Detail
CHEMBL205130
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Basic Information
| ChEMBL ID | CHEMBL205130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UUPPOBBBMAWWMW-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
234.2
MW (Da)
0.04
ALogP
7
HBA
3
HBD
129.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.42
IC50 1 meas. best 5.28
Ki 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polymerase acidic protein CHEMBL1169598 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
| Polymerase acidic protein CHEMBL1169598 | EC50 | 5.42 | 5.42 | 3800.0 | 1 |
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polymerase acidic protein | Ki | = | 1100.0 | nM | 5.96 | Binding affinity to PA N-terminal domain (Competitive) | 22211528 |
| Polymerase acidic protein | EC50 | = | 3800.0 | nM | 5.42 | Plaque growth inhibition | 22211528 |
| RNA-directed RNA polymerase | IC50 | = | 5300.0 | nM | 5.28 | Inhibitory activity against HCV 1b BK NS5B deltaC55 RNA polymerase | 16509585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22211528 | 10.1021/cb200439z | Polymerase acidic protein | 2 |
| 16509585 | 10.1021/jm051064t | RNA-directed RNA polymerase | 1 |
| 22211528 | 10.1021/cb200439z | Influenza A virus | 1 |
Data from ChEMBL 36 via Core Engine