Compound Detail
CHEMBL213819
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Basic Information
| ChEMBL ID | CHEMBL213819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INDQEDNRNWCLQM-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
4.58
ALogP
5
HBA
1
HBD
81.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.66
IC50 1 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 480.0 | nM | 6.32 | Inhibition of HCV 1b NS5B delta21 RNA dependent RNA polymerase by SPA | 16908138 |
| Hepatitis C virus | EC50 | = | 22000.0 | nM | 4.66 | Inhibition of HCV RNA replication by replicon assay | 16908138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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