Compound Detail
CHEMBL473690
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Basic Information
| ChEMBL ID | CHEMBL473690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHCASPYXLIAHLU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.8
MW (Da)
2.87
ALogP
4
HBA
3
HBD
82.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
| Simplexvirus CHEMBL613316 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | IC50 | = | 680.0 | nM | 6.17 | Antiviral activity against Varicella zoster virus | 19112024 |
| Simplexvirus | IC50 | = | 20000.0 | nM | 4.7 | Antiviral activity against Herpes simplex virus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19112024 | 10.1016/j.bmc.2008.11.075 | Simplexvirus | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human alphaherpesvirus 3 | 1 |
Data from ChEMBL 36 via Core Engine