Compound Detail
CHEMBL151794
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Basic Information
| ChEMBL ID | CHEMBL151794 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNRZCGSGZCQNMA-DAXSKMNVSA-N |
3
Targets
9
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
223.2
MW (Da)
-0.96
ALogP
6
HBA
3
HBD
101.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.85
EC50 3 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 4.84 | 4.67 | 14300.0 | 2 |
| Human gammaherpesvirus 4 CHEMBL613124 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
| MEF CHEMBL614342 | EC50 | 4.27 | 4.27 | 54000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 14000.0 | nM | 4.85 | Antiviral activity against Human cytomegalovirus | 19112024 |
| Human betaherpesvirus 5 | EC50 | = | 14300.0 | nM | 4.84 | In vitro effective concentration required to inhibit AD169 strain of human cytom... | 14736238 |
| Human betaherpesvirus 5 | EC50 | = | 32000.0 | nM | 4.5 | In vitro effective concentration required to inhibit towne strain of human cytom... | 14736238 |
| Human gammaherpesvirus 4 | IC50 | = | 45000.0 | nM | 4.35 | Antiviral activity against Epstein-Barr virus | 19112024 |
| MEF | EC50 | = | 54000.0 | nM | 4.27 | In vitro effective concentration required to inhibit murine cytomegalovirus (MCM... | 14736238 |
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 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