Compound Detail
CHEMBL213832
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Basic Information
| ChEMBL ID | CHEMBL213832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLNJWPGFXYKPAF-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
5.20
ALogP
4
HBA
1
HBD
62.5
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.54
IC50 3 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nonstructural protein 5A CHEMBL3307224 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Genome polyprotein CHEMBL6040 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Hepatitis C virus CHEMBL379 | EC50 | 5.54 | 5.54 | 2900.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 58.0 | nM | 7.24 | Inhibition of HCV BK NS5B deltaC55 RNA dependent RNA polymerase | 16714108 |
| Genome polyprotein | IC50 | = | 58.0 | nM | 7.24 | Inhibition of HCV genotype 1b BK NS5B expressed in Escherichia coli BL21 (DE3) a... | 25768704 |
| Nonstructural protein 5A | IC50 | = | 58.0 | nM | 7.24 | Binding affinity to HCV NS5A polymerase | 30639895 |
| Hepatitis C virus | EC50 | = | 2900.0 | nM | 5.54 | Inhibition of HCV RNA replication in Huh7 cells in presence of 10% fetal calf se... | 16714108 |
| Hepatitis C virus | EC50 | = | 2900.0 | nM | 5.54 | Antiviral activity against HCV genotype 1b Con1 infected in human HuH7 cells ass... | 25768704 |
| Hepatitis C virus | EC50 | = | 2900.0 | nM | 5.54 | Antiviral activity against HCV | 30639895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16714108 | 10.1016/j.bmcl.2006.05.012 | No relevant target | 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 |
| 25768704 | 10.1016/j.ejmech.2015.03.012 | Genome polyprotein | 1 |
| 25768704 | 10.1016/j.ejmech.2015.03.012 | Hepatitis C virus | 1 |
| 30639895 | 10.1016/j.ejmech.2018.12.045 | Hepatitis C virus | 1 |
| 30639895 | 10.1016/j.ejmech.2018.12.045 | Nonstructural protein 5A | 1 |
Data from ChEMBL 36 via Core Engine