Compound Detail
CHEMBL152335
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Basic Information
| ChEMBL ID | CHEMBL152335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZDFBHZWTFMZPF-QHHAFSJGSA-N |
4
Targets
9
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
-0.79
ALogP
8
HBA
4
HBD
136.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.48
EC50 4 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| Hepatitis B virus CHEMBL613497 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 5.08 | 5.08 | 8400.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Human alphaherpesvirus 3 CHEMBL613132 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
| HFF CHEMBL614071 | EC50 | 4.41 | 4.41 | 38900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 3300.0 | nM | 5.48 | Antiviral activity against Human cytomegalovirus | 19112024 |
| Hepatitis B virus | EC50 | = | 4000.0 | nM | 5.4 | In vitro effective concentration required to inhibit hepatitisB virus (HBV) repl... | 14736238 |
| Human alphaherpesvirus 3 | EC50 | = | 8400.0 | nM | 5.08 | In vitro effective concentration required to inhibit varicella zoster virus (VZV... | 14736238 |
| Human betaherpesvirus 5 | EC50 | = | 15000.0 | nM | 4.82 | In vitro effective concentration required to inhibit towne strain of human cytom... | 14736238 |
| HFF | EC50 | = | 38900.0 | nM | 4.41 | In vitro effective concentration required to inhibit varicella zoster virus (VZV... | 14736238 |
| Human alphaherpesvirus 3 | IC50 | = | 39000.0 | nM | 4.41 | 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 | 2 |
| 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 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 | Human gammaherpesvirus 8 | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human alphaherpesvirus 3 | 1 |
Data from ChEMBL 36 via Core Engine