Compound Detail
CHEMBL372822
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CCCCCCCCC#Cc1cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c(=O)nc2o1
Basic Information
| ChEMBL ID | CHEMBL372822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWGMGCJMOASQCD-FTEYMNFISA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
1.70
ALogP
8
HBA
3
HBD
118.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 5.43 | 5.195 | 3700.0 | 2 |
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 3700.0 | nM | 5.43 | Antiviral activity against Varicella-Zoster virus YS/R strain | 16392824 |
| Human alphaherpesvirus 3 | EC50 | = | 11000.0 | nM | 4.96 | Antiviral activity against Varicella-Zoster virus 07/1 strain | 16392824 |
| Human betaherpesvirus 5 | EC50 | = | 12000.0 | nM | 4.92 | Antiviral activity against human cytomegalovirus Davis strain | 16392824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392824 | 10.1021/jm050867d | Human alphaherpesvirus 3 | 3 |
| 16392824 | 10.1021/jm050867d | Human betaherpesvirus 5 | 2 |
| 16392824 | 10.1021/jm050867d | HEL | 2 |
Data from ChEMBL 36 via Core Engine