Compound Detail
CHEMBL362058
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Basic Information
| ChEMBL ID | CHEMBL362058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSEORECYWNMMOB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
4.50
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nonstructural protein 5A CHEMBL3307224 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nonstructural protein 5A | IC50 | = | 160.0 | nM | 6.8 | Binding affinity to HCV NS5A polymerase | 30639895 |
| RNA-directed RNA polymerase | IC50 | = | 3700.0 | nM | 5.43 | Inhibitory activity against NS5B polymerase of hepatitis C virus | 14684311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14684311 | 10.1016/j.bmcl.2003.10.023 | RNA-directed RNA polymerase | 1 |
| 14684311 | 10.1016/j.bmcl.2003.10.023 | Genome polyprotein | 1 |
| 14684311 | 10.1016/j.bmcl.2003.10.023 | DNA-directed RNA polymerase subunit beta | 1 |
| 30639895 | 10.1016/j.ejmech.2018.12.045 | Nonstructural protein 5A | 1 |
Data from ChEMBL 36 via Core Engine