Compound Detail
CHEMBL3143144
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[N-]=[N+]=NC(CCl)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL3143144 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOWGZSRUCDATHG-SDXRHAFMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
347.7
MW (Da)
-1.26
ALogP
8
HBA
4
HBD
173.5
PSA (Ų)
0.22
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
| Human alphaherpesvirus 1 CHEMBL377 | EC50 | 6.34 | 6.34 | 460.0 | 1 |
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 5.84 | 5.84 | 1450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 80.0 | nM | 7.1 | In vitro antiviral activity against Varicella zoster virus | 11708924 |
| Human alphaherpesvirus 1 | EC50 | = | 460.0 | nM | 6.34 | In vitro antiviral activity against Herpes simplex virus type 1 | 11708924 |
| Human betaherpesvirus 5 | EC50 | = | 1450.0 | nM | 5.84 | Antiviral activity against human cytomegalovirus | 11708924 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11708924 | 10.1021/jm010227k | Human alphaherpesvirus 1 | 1 |
| 11708924 | 10.1021/jm010227k | Human betaherpesvirus 5 | 1 |
| 11708924 | 10.1021/jm010227k | Human alphaherpesvirus 3 | 1 |
Data from ChEMBL 36 via Core Engine