Compound Detail
CHEMBL3105552
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COc1cc([C@@H](OC(C)=O)[C@@H](C)Oc2c(OC)cc(/C=C/CO)cc2OC)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL3105552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDELZQUACZRQDO-GUAWHXRTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
3.81
ALogP
9
HBA
1
HBD
101.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human gammaherpesvirus 4 CHEMBL613124 | EC50 | 4.35 | 4.35 | 44300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human gammaherpesvirus 4 | EC50 | = | 44300.0 | nM | 4.35 | 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