Compound Detail
CHEMBL384629
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Basic Information
| ChEMBL ID | CHEMBL384629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPHJZEBBTPCAJK-YZWUUTKLSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
251.2
MW (Da)
-0.08
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Murid betaherpesvirus 1 CHEMBL613495 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 4.17 | 4.17 | 68300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Murid betaherpesvirus 1 | EC50 | = | 2500.0 | nM | 5.6 | Inhibition of MCMV replication in MEF cells by plaque reduction assay | 17004726 |
| Human betaherpesvirus 5 | EC50 | = | 15000.0 | nM | 4.82 | Inhibition of HCMV AD169 replication in HFF cells by cytopathic effect assay | 17004726 |
| Human alphaherpesvirus 1 | EC50 | = | 20000.0 | nM | 4.7 | Inhibition of HSV1 replication in BSC1 cells by ELISA | 17004726 |
| Human alphaherpesvirus 3 | EC50 | = | 68300.0 | nM | 4.17 | Inhibition of VZV replication in HFF cells by plaque reduction assay | 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 | Murid betaherpesvirus 1 | 1 |
| 17004726 | 10.1021/jm0607404 | MEF | 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 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine