Compound Detail
CHEMBL444555
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CCC/C=C/c1ccccc1-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Basic Information
| ChEMBL ID | CHEMBL444555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEIRBGPVICOVFQ-MWUKHTTLSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
3.11
ALogP
7
HBA
2
HBD
97.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.08
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human alphaherpesvirus 3 CHEMBL613132 | EC50 | 5.08 | 5.08 | 8400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human alphaherpesvirus 3 | EC50 | = | 8400.0 | nM | 5.08 | Antiviral activity against Varicella Zoster virus Oka infected in HEL cells asse... | 19328697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19328697 | 10.1016/j.bmc.2009.03.022 | HEL | 2 |
| 19328697 | 10.1016/j.bmc.2009.03.022 | Human alphaherpesvirus 3 | 1 |
| 19328697 | 10.1016/j.bmc.2009.03.022 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine