Compound Detail
CHEMBL3325762
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COc1cc([C@@H]2O[C@H](c3cc(O)c(OC)c(OC)c3)[C@@H](C)[C@@H]2C)ccc1O
Basic Information
| ChEMBL ID | CHEMBL3325762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEXPORSGDXJAPE-UAFHBQARSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
4.21
ALogP
6
HBA
2
HBD
77.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 5.5 | 5.5 | 3150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 3150.0 | nM | 5.5 | Inhibition of PCSK9 mRNA expression in human HepG2 cells after 24 hrs by SYBR Gr... | 30448414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25116183 | 10.1021/np500187c | Staphylococcus aureus | 5 |
| 25116183 | 10.1021/np500187c | Platelet | 3 |
| 25116183 | 10.1021/np500187c | NON-PROTEIN TARGET | 2 |
| 25116183 | 10.1021/np500187c | SW480 | 1 |
| 25116183 | 10.1021/np500187c | MCF7 | 1 |
| 25116183 | 10.1021/np500187c | A549 | 1 |
| 30448414 | 10.1016/j.ejmech.2018.11.011 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine