Compound Detail
CHEMBL474303
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Basic Information
| ChEMBL ID | CHEMBL474303 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTHWANCYYFTHOF-OAWRCXNGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
545.7
MW (Da)
6.64
ALogP
7
HBA
1
HBD
112.7
PSA (Ų)
0.12
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Simplexvirus CHEMBL613316 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Vaccinia virus CHEMBL613493 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Simplexvirus | IC50 | = | 40.0 | nM | 7.4 | Antiviral activity against Herpes simplex virus | 19112024 |
| Human betaherpesvirus 5 | IC50 | = | 40.0 | nM | 7.4 | Antiviral activity against Human cytomegalovirus | 19112024 |
| Vaccinia virus | IC50 | = | 5600.0 | nM | 5.25 | 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 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human betaherpesvirus 5 | 1 |
Data from ChEMBL 36 via Core Engine