Compound Detail
CHEMBL379677
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Basic Information
| ChEMBL ID | CHEMBL379677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWCTUYUNVJTNJR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
6.49
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 5.85 | 5.85 | 1400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 530.0 | nM | 6.28 | Inhibition of HCV recombinant NS5B Cdelta21 RdRp expressed in Escherichia coli a... | 19819138 |
| RNA-directed RNA polymerase | IC50 | = | 1400.0 | nM | 5.85 | Inhibitory activity against HCV 1b NS5B RNA dependent RNA polymerase | 16455252 |
| RNA-directed RNA polymerase | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of HCV NS5B RNA polymerase | 17125247 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16455252 | 10.1016/j.bmcl.2006.01.032 | RNA-directed RNA polymerase | 1 |
| 17125247 | 10.1021/jm0610245 | RNA-directed RNA polymerase | 1 |
| 19819138 | 10.1016/j.bmcl.2009.09.087 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine