Compound Detail
CHEMBL479529
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CCCCCCCCCCCCCCCCCCOCCOP(=O)([O-])CO[C@H](CO)Cn1ccc(N)nc1=O.[Na+]
Basic Information
| ChEMBL ID | CHEMBL479529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWNLXRBMSQEWNH-SNYZSRNZSA-M |
| Parent Compound | CHEMBL206291 |
| Active Moiety | CHEMBL206291 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
575.7
MW (Da)
5.64
ALogP
9
HBA
3
HBD
146.1
PSA (Ų)
0.09
QED
2
Ro5 Violations
27
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Simplexvirus CHEMBL613316 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Vaccinia virus CHEMBL613493 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Simplexvirus | IC50 | = | 1.0 | nM | 9.0 | Antiviral activity against Herpes simplex virus | 19112024 |
| Vaccinia virus | IC50 | = | 240.0 | nM | 6.62 | Antiviral activity against Vaccinia virus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19112024 | 10.1016/j.bmc.2008.11.075 | Vaccinia virus | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Simplexvirus | 1 |
Data from ChEMBL 36 via Core Engine