Compound Detail
CHEMBL3806243
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Basic Information
| ChEMBL ID | CHEMBL3806243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPKKARULOOYORW-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
250.6
MW (Da)
1.67
ALogP
4
HBA
1
HBD
62.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.98
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatitis C virus CHEMBL379 | EC50 | 4.98 | 4.98 | 10500.0 | 1 |
| Polymerase acidic protein CHEMBL3621021 | IC50 | 4.57 | 4.57 | 26900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatitis C virus | EC50 | = | 10500.0 | nM | 4.98 | Antiviral activity against HCV Con1 infected in human Huh5-2 cells haboring fire... | - |
| Polymerase acidic protein | IC50 | = | 26900.0 | nM | 4.57 | Inhibition of recombinant Influenza A/X-31 virus PA (N-terminal amino acid resid... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00439J | ADMET | 2 |
| - | 10.1039/C5MD00439J | Polymerase acidic protein | 2 |
| - | 10.1039/C5MD00439J | Hepatitis C virus | 2 |
| - | 10.1039/C5MD00439J | No relevant target | 2 |
| - | 10.1039/C5MD00439J | Unchecked | 1 |
| - | 10.1039/C5MD00439J | Nonstructural protein 5A | 1 |
Data from ChEMBL 36 via Core Engine