Compound Detail
CHEMBL3417270
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[N-]=[N+]=N[C@]1(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3417270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAVHTXGSGYWUMZ-JVZYCSMKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
524.2
MW (Da)
-1.57
ALogP
14
HBA
7
HBD
319.2
PSA (Ų)
0.08
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Nonstructural protein 5 CHEMBL4295629 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 240.0 | nM | 6.62 | Inhibition of Respiratory syncytial virus RNA polymerase in crude RSV RNP comple... | 25667954 |
| Nonstructural protein 5 | IC50 | = | 360.0 | nM | 6.44 | Inhibition of Dengue virus 2 NS5 full length RdRp activity using RNA as template... | 29801997 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25667954 | 10.1021/jm5017279 | Unchecked | 1 |
| 29801997 | 10.1016/j.bmcl.2018.04.069 | Nonstructural protein 5 | 1 |
Data from ChEMBL 36 via Core Engine