Compound Detail
CHEMBL4064156
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CCCCCCCCCCCCCCCCCCOCCNc1ncn(CCOCP(=O)(OCCOCCCCCCCCCCCCCCCCCC)OCCOCCCCCCCCCCCCCCCCCC)c(=O)n1
Basic Information
| ChEMBL ID | CHEMBL4064156 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GODDWCLPJALGHY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
1139.8
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 4.35 | 4.175 | 44700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 44700.0 | nM | 4.35 | Antiviral activity against wild type thymidine kinase expressing Varicella-Zoste... | 28757102 |
| Human alphaherpesvirus 3 | EC50 | = | 100000.0 | nM | 4.0 | Antiviral activity against wild type thymidine kinase-deficient Varicella-Zoster... | 28757102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28757102 | 10.1016/j.bmc.2017.06.046 | Human alphaherpesvirus 3 | 2 |
| 28757102 | 10.1016/j.bmc.2017.06.046 | Human betaherpesvirus 5 | 2 |
| 28757102 | 10.1016/j.bmc.2017.06.046 | HEL | 2 |
| 28757102 | 10.1016/j.bmc.2017.06.046 | Human alphaherpesvirus 1 | 2 |
| 28757102 | 10.1016/j.bmc.2017.06.046 | Unchecked | 1 |
| 28757102 | 10.1016/j.bmc.2017.06.046 | Influenza B virus | 1 |
| 28757102 | 10.1016/j.bmc.2017.06.046 | Influenza A virus H3N2 | 1 |
| 28757102 | 10.1016/j.bmc.2017.06.046 | Influenza A virus | 1 |
| 28757102 | 10.1016/j.bmc.2017.06.046 | Feline coronavirus | 1 |
| 28757102 | 10.1016/j.bmc.2017.06.046 | Punta Toro virus | 1 |
| 28757102 | 10.1016/j.bmc.2017.06.046 | Sindbis virus | 1 |
| 28757102 | 10.1016/j.bmc.2017.06.046 | Mammalian orthoreovirus 1 | 1 |
| 28757102 | 10.1016/j.bmc.2017.06.046 | Human respirovirus 3 | 1 |
| 28757102 | 10.1016/j.bmc.2017.06.046 | Coxsackievirus B4 | 1 |
| 28757102 | 10.1016/j.bmc.2017.06.046 | Vesicular stomatitis virus | 1 |
| 28757102 | 10.1016/j.bmc.2017.06.046 | Vaccinia virus | 1 |
| 28757102 | 10.1016/j.bmc.2017.06.046 | Human alphaherpesvirus 2 | 1 |
Data from ChEMBL 36 via Core Engine