Compound Detail
CHEMBL513554
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Basic Information
| ChEMBL ID | CHEMBL513554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIPMZEDNTNWSPI-CLTKARDFSA-N |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
-0.37
ALogP
8
HBA
3
HBD
119.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.52
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | IC50 | = | 3000.0 | nM | 5.52 | Antiviral activity against Varicella zoster virus | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14736238 | 10.1021/jm030316s | Human betaherpesvirus 5 | 3 |
| 14736238 | 10.1021/jm030316s | Human gammaherpesvirus 4 | 3 |
| 14736238 | 10.1021/jm030316s | HFF | 1 |
| 14736238 | 10.1021/jm030316s | MEF | 1 |
| 14736238 | 10.1021/jm030316s | Murid betaherpesvirus 1 | 1 |
| 14736238 | 10.1021/jm030316s | Human alphaherpesvirus 3 | 1 |
| 14736238 | 10.1021/jm030316s | Hepatitis B virus | 1 |
| 14736238 | 10.1021/jm030316s | HepG2 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human gammaherpesvirus 4 | 1 |
| 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 alphaherpesvirus 3 | 1 |
Data from ChEMBL 36 via Core Engine