Compound Detail
CHEMBL361434
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Basic Information
| ChEMBL ID | CHEMBL361434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIHHAPXAXYGMEH-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
4.91
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 5.51 | 5.2567 | 3100.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA | 16908138 |
| RNA-directed RNA polymerase | IC50 | = | 6500.0 | nM | 5.19 | Inhibition of HCV BK NS5B deltaC55 RNA dependent RNA polymerase | 16714108 |
| RNA-directed RNA polymerase | IC50 | = | 8600.0 | nM | 5.07 | 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 |
| 16714108 | 10.1016/j.bmcl.2006.05.012 | Hepatitis C virus | 1 |
| 16714108 | 10.1016/j.bmcl.2006.05.012 | RNA-directed RNA polymerase | 1 |
| 16908138 | 10.1016/j.bmcl.2006.07.074 | RNA-directed RNA polymerase | 1 |
| 16908138 | 10.1016/j.bmcl.2006.07.074 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine