Compound Detail
CHEMBL565370
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CCCCCc1ccc(-c2cc3cn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4F)c(=O)nc3o2)cc1
Basic Information
| ChEMBL ID | CHEMBL565370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCFMLLXYJTVSKF-ANTGDGSKSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
416.4
MW (Da)
2.98
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.12
IC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 6.12 | 6.12 | 750.0 | 1 |
| Thymidine kinase CHEMBL3308966 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 750.0 | nM | 6.12 | Antiviral activity against Varicella zoster virus OKA infected human HEL cells a... | 19833513 |
| Thymidine kinase | IC50 | = | 2700.0 | nM | 5.57 | Displacement of [CH3-3H]deoxythymidine from Varicella zoster virus recombinant t... | 19833513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19833513 | 10.1016/j.bmcl.2009.09.116 | Thymidine kinase | 4 |
| 19833513 | 10.1016/j.bmcl.2009.09.116 | Human alphaherpesvirus 3 | 2 |
| 19833513 | 10.1016/j.bmcl.2009.09.116 | HEL | 1 |
Data from ChEMBL 36 via Core Engine