Compound Detail
CHEMBL4127030
ADAFOSBUVIR 5'-TRIPHOSPHATE Enter ChEMBL ID:
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C[C@]1(O)[C@H](n2ccc(=O)[nH]c2=O)O[C@](F)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL4127030 |
| Name | ADAFOSBUVIR 5'-TRIPHOSPHATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEFGXGBFIOVTEX-MVHNUAHISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
1
Known Names
Molecular Properties
516.2
MW (Da)
-1.81
ALogP
12
HBA
7
HBD
264.4
PSA (Ų)
0.19
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Single Enantiomer |
Activity Summary
IC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RNA-directed RNA polymerase CHEMBL4296320 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Nonstructural protein 5 CHEMBL4295629 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RNA-directed RNA polymerase | IC50 | = | 140.0 | nM | 6.85 | Inhibition of HCV NS5B RNA-dependent RNA polymerase activity assessed as reducti... | 30951311 |
| Nonstructural protein 5 | IC50 | = | 6600.0 | nM | 5.18 | Inhibition of Dengue virus RdRp activity using 5'-(TCAG)20(TCCAAG)14(TCAG)20-3' ... | 29801997 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30951311 | 10.1021/acs.jmedchem.9b00143 | RNA-directed RNA polymerase | 3 |
| 29801997 | 10.1016/j.bmcl.2018.04.069 | Nonstructural protein 5 | 1 |
| 29801997 | 10.1016/j.bmcl.2018.04.069 | DNA-directed RNA polymerase, mitochondrial | 1 |
| 30951311 | 10.1021/acs.jmedchem.9b00143 | DNA polymerase alpha catalytic subunit | 1 |
| 30951311 | 10.1021/acs.jmedchem.9b00143 | DNA polymerase beta | 1 |
| 30951311 | 10.1021/acs.jmedchem.9b00143 | DNA polymerase subunit gamma-1 | 1 |
| 30951311 | 10.1021/acs.jmedchem.9b00143 | Unchecked | 1 |
| 30951311 | 10.1021/acs.jmedchem.9b00143 | DNA-directed RNA polymerase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine