Compound Detail
CHEMBL3142404
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CCCCCc1ccc(-c2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3s2)cc1
Basic Information
| ChEMBL ID | CHEMBL3142404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFDKOJDESNQXTE-NLWGTHIKSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
3.50
ALogP
7
HBA
2
HBD
84.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 7.85 | 6.7167 | 14.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 14.0 | nM | 7.85 | Antiviral activity against Varicella-Zoster virus (YS) | 15109620 |
| Human alphaherpesvirus 3 | EC50 | = | 25.0 | nM | 7.6 | Antiviral activity against Varicella-Zoster virus (OKA) | 15109620 |
| Human alphaherpesvirus 3 | EC50 | = | 20000.0 | nM | 4.7 | Antiviral activity against Varicella-Zoster virus (thymidine kinase deficient) T... | 15109620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15109620 | 10.1016/j.bmcl.2004.03.029 | Human alphaherpesvirus 3 | 3 |
| 15109620 | 10.1016/j.bmcl.2004.03.029 | HeLa | 2 |
Data from ChEMBL 36 via Core Engine