Compound Detail
CHEMBL4103669
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C[C@@]1(F)[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@H]1c1ccc2c(N)ncnn12
Basic Information
| ChEMBL ID | CHEMBL4103669 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HURQIIBFMDMARD-MWGHHZFTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
522.2
MW (Da)
0.18
ALogP
12
HBA
6
HBD
245.5
PSA (Ų)
0.25
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 46.0 | nM | 7.34 | Inhibition of HCV genotype 1b wild-type NS5B RNA dependent RNA polymerase | 28274633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28274633 | 10.1016/j.bmcl.2017.02.037 | Hepatitis C virus | 1 |
| 28274633 | 10.1016/j.bmcl.2017.02.037 | RNA-directed RNA polymerase | 1 |
| 28274633 | 10.1016/j.bmcl.2017.02.037 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine