Compound Detail
CHEMBL458745
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Basic Information
| ChEMBL ID | CHEMBL458745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMFXETCZYXGKMG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
378.9
MW (Da)
4.45
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 5.17 | 5.155 | 6700.0 | 2 |
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 5.1 | 5.1 | 8000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 6700.0 | nM | 5.17 | Antiviral activity against thymidine kinase deficient Varicella zoster virus 07/... | 19226140 |
| Human alphaherpesvirus 3 | EC50 | = | 7300.0 | nM | 5.14 | Antiviral activity against thymidine kinase expressing Varicella zoster virus Ok... | 19226140 |
| Human betaherpesvirus 5 | EC50 | = | 8000.0 | nM | 5.1 | Antiviral activity against HCMV Davis infected in human HEL cells assessed inhib... | 19226140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19226140 | 10.1021/jm8014662 | Human betaherpesvirus 5 | 2 |
| 19226140 | 10.1021/jm8014662 | Human alphaherpesvirus 3 | 2 |
| 19226140 | 10.1021/jm8014662 | HEL | 2 |
Data from ChEMBL 36 via Core Engine