Compound Detail
CHEMBL189399
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Basic Information
| ChEMBL ID | CHEMBL189399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLKDFCZWZKILLY-XLPZGREQSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
-0.74
ALogP
8
HBA
3
HBD
108.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Human alphaherpesvirus 3 CHEMBL613132 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 40000.0 | nM | 4.4 | Antiviral activity against Human cytomegalovirus | 19112024 |
| Human alphaherpesvirus 3 | IC50 | = | 40000.0 | nM | 4.4 | Antiviral activity against Varicella zoster virus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15481985 | 10.1021/jm049806q | HEL | 6 |
| 15481985 | 10.1021/jm049806q | E6SM | 5 |
| 15481985 | 10.1021/jm049806q | ADMET | 2 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human alphaherpesvirus 1 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human alphaherpesvirus 2 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human betaherpesvirus 5 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Vaccinia virus | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human alphaherpesvirus 3 | 1 |
Data from ChEMBL 36 via Core Engine