Compound Detail
CHEMBL3105543
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COc1cc([C@@H](O)[C@@H](C)Oc2ccc([C@@H]3O[C@H](c4ccc(O)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)ccc1O
Basic Information
| ChEMBL ID | CHEMBL3105543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIBPGXUIRFWSNY-ZCZCRYHXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
524.6
MW (Da)
5.71
ALogP
8
HBA
3
HBD
106.8
PSA (Ų)
0.33
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human gammaherpesvirus 4 CHEMBL613124 | EC50 | 5.16 | 5.16 | 6950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human gammaherpesvirus 4 | EC50 | = | 6950.0 | nM | 5.16 | Antiviral activity against EBV infected in human P3HR1 cells assessed as inhibit... | 24359277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24359277 | 10.1021/np400757k | Unchecked | 1 |
| 24359277 | 10.1021/np400757k | ADMET | 1 |
| 24359277 | 10.1021/np400757k | Human gammaherpesvirus 4 | 1 |
Data from ChEMBL 36 via Core Engine