Compound Detail
CHEMBL3143170
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CC(C)CCOCCCCCCCCCc1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Basic Information
| ChEMBL ID | CHEMBL3143170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJHPBDYYGQTOBB-YTFSRNRJSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
3.97
ALogP
8
HBA
2
HBD
107.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 7.3 | 7.26 | 50.0 | 2 |
| Human betaherpesvirus 5 CHEMBL371 | EC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 50.0 | nM | 7.3 | Concentration required to give 50% inhibition of replication of VZV OKA in tissu... | 14643358 |
| Human alphaherpesvirus 3 | EC50 | = | 60.0 | nM | 7.22 | Antiviral activity evaluated against Varicella Zoster virus (YS) | 14643358 |
| Human betaherpesvirus 5 | EC50 | = | 5000.0 | nM | 5.3 | Antiviral activity evaluated against human cytomegalovirus (HCMV) Davis | 14643358 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14643358 | 10.1016/j.bmcl.2003.08.028 | Human alphaherpesvirus 3 | 4 |
| 14643358 | 10.1016/j.bmcl.2003.08.028 | HEL | 2 |
| 14643358 | 10.1016/j.bmcl.2003.08.028 | Human betaherpesvirus 5 | 2 |
Data from ChEMBL 36 via Core Engine