Compound Detail
CHEMBL233061
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Basic Information
| ChEMBL ID | CHEMBL233061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNJWBZJTAKJKBL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
3.41
ALogP
6
HBA
0
HBD
55.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 17000.0 | nM | 4.77 | Antiviral activity against HCMV in MRC5 cells by plaque reduction assay | 17239594 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17239594 | 10.1016/j.bmcl.2006.12.085 | MRC5 | 1 |
| 17239594 | 10.1016/j.bmcl.2006.12.085 | Human betaherpesvirus 5 | 1 |
| 17239594 | 10.1016/j.bmcl.2006.12.085 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine