Compound Detail
CHEMBL4126343
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N#C[C@]1(O)C(n2ccc3c(N)ncnc32)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL4126343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVXTWQADXJNESD-QUMRWOPLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
531.2
MW (Da)
-1.13
ALogP
14
HBA
7
HBD
290.0
PSA (Ų)
0.16
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nonstructural protein 5 CHEMBL4295629 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nonstructural protein 5 | IC50 | = | 340.0 | nM | 6.47 | Inhibition of Dengue virus 4 NS5 full length RdRp activity using RNA as template... | 29801997 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29801997 | 10.1016/j.bmcl.2018.04.069 | Nonstructural protein 5 | 1 |
Data from ChEMBL 36 via Core Engine