Compound Detail
CHEMBL388452
ARCTIIN Enter ChEMBL ID:
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COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL388452 |
| Name | ARCTIIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOJVHLIYNSOZOO-SWOBOCGESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
534.6
MW (Da)
0.47
ALogP
11
HBA
4
HBD
153.4
PSA (Ų)
0.31
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 16000.0 | nM | 4.8 | Antiviral activity against HCMV in MRC5 cells by plaque reduction assay | 17239594 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17239594 | 10.1016/j.bmcl.2006.12.085 | MRC5 | 1 |
| 17239594 | 10.1016/j.bmcl.2006.12.085 | Human betaherpesvirus 5 | 1 |
| 17239594 | 10.1016/j.bmcl.2006.12.085 | Unchecked | 1 |
| 18986199 | 10.1021/np8004166 | RAW264.7 | 1 |
| 31199638 | 10.1021/acs.jnatprod.8b00948 | Tyrosinase | 1 |
| 31199638 | 10.1021/acs.jnatprod.8b00948 | Leishmania | 1 |
| 31199638 | 10.1021/acs.jnatprod.8b00948 | Bacteria | 1 |
| 35307617 | 10.1016/j.ejmech.2022.114291 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine