Compound Detail
CHEMBL4543543
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O=c1ccn([C@@H]2O[C@](F)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@]2(O)CF)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL4543543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VKJMXXKISHJZBN-MVHNUAHISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
534.1
MW (Da)
-1.86
ALogP
12
HBA
7
HBD
264.4
PSA (Ų)
0.17
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 150.0 | nM | 6.82 | Inhibition of HCV NS5B RNA-dependent RNA polymerase activity assessed as reducti... | 30951311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30951311 | 10.1021/acs.jmedchem.9b00143 | RNA-directed RNA polymerase | 1 |
Data from ChEMBL 36 via Core Engine