Compound Detail
CHEMBL205341
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Basic Information
| ChEMBL ID | CHEMBL205341 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCBGRLLUXMFKAM-QGZVFWFLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
3.31
ALogP
5
HBA
2
HBD
99.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Hepatitis C virus CHEMBL379 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 18.0 | nM | 7.75 | Inhibition of HCV NS5B RNA dependent RNA polymerase | 16455253 |
| Hepatitis C virus | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of HCV replication | 16455253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16455253 | 10.1016/j.bmcl.2006.01.034 | RNA-directed RNA polymerase | 1 |
| 16455253 | 10.1016/j.bmcl.2006.01.034 | Hepatitis C virus | 1 |
Data from ChEMBL 36 via Core Engine