Compound Detail
CHEMBL396263
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Basic Information
| ChEMBL ID | CHEMBL396263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAGHPRDTHLKFCW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
454.7
MW (Da)
5.21
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.58
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 520.0 | nM | 6.28 | 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 |
| 32364734 | 10.1021/acs.jnatprod.9b00397 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine