Compound Detail
CHEMBL4204771
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Basic Information
| ChEMBL ID | CHEMBL4204771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMACZJBZKBQMNE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
4.23
ALogP
4
HBA
1
HBD
79.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | EC50 | 7.14 | 7.14 | 73.0 | 1 |
| Nonstructural protein 5A CHEMBL3307224 | EC50 | 6.47 | 6.42 | 335.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | EC50 | = | 73.0 | nM | 7.14 | Inhibition of HCV genotype 1b NS5B polymerase infected in human HuH7 replicon ce... | 29422387 |
| Nonstructural protein 5A | EC50 | = | 335.0 | nM | 6.47 | Inhibition of HCV genotype 1a NS5A polymerase infected in human HuH7 replicon ce... | 29422387 |
| Nonstructural protein 5A | EC50 | = | 423.0 | nM | 6.37 | Inhibition of HCV genotype 1a NS5A polymerase L31V/Y93H double mutant infected i... | 29422387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29422387 | 10.1016/j.bmcl.2018.01.029 | Nonstructural protein 5A | 2 |
| 29422387 | 10.1016/j.bmcl.2018.01.029 | RNA-directed RNA polymerase | 1 |
Data from ChEMBL 36 via Core Engine