Compound Detail
CHEMBL425798
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Basic Information
| ChEMBL ID | CHEMBL425798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYSBZIQYOIAWBJ-PAABYIGWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
235.2
MW (Da)
0.21
ALogP
6
HBA
2
HBD
89.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 1 | EC50 | = | 50000.0 | nM | 4.3 | Inhibition of HSV1 replication in BSC1 cells by ELISA | 17004726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17004726 | 10.1021/jm0607404 | Human betaherpesvirus 5 | 2 |
| 17004726 | 10.1021/jm0607404 | HFF | 2 |
| 17004726 | 10.1021/jm0607404 | Human alphaherpesvirus 1 | 2 |
| 17004726 | 10.1021/jm0607404 | Human gammaherpesvirus 4 | 2 |
| 17004726 | 10.1021/jm0607404 | KB | 1 |
| 17004726 | 10.1021/jm0607404 | Human alphaherpesvirus 2 | 1 |
| 17004726 | 10.1021/jm0607404 | Vero | 1 |
| 17004726 | 10.1021/jm0607404 | Daudi | 1 |
| 17004726 | 10.1021/jm0607404 | Human alphaherpesvirus 3 | 1 |
| 17004726 | 10.1021/jm0607404 | Human immunodeficiency virus 1 | 1 |
| 17004726 | 10.1021/jm0607404 | MT2 | 1 |
| 17004726 | 10.1021/jm0607404 | Hepatitis B virus | 1 |
| 17004726 | 10.1021/jm0607404 | Adenosine deaminase | 1 |
| 17004726 | 10.1021/jm0607404 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine