Compound Detail
CHEMBL571681
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COC(=O)C1[C@@H](O)[C@@]2(O)c3c(cc4c(c3OC)OCO4)O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL571681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMHYJLIVXJIYCQ-RBZCUQKNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
506.5
MW (Da)
2.86
ALogP
9
HBA
2
HBD
112.9
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.61 | 6.61 | 243.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 243.0 | nM | 6.61 | Inhibition of NF-kappaB activation | 19726185 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19726185 | 10.1016/j.bmcl.2009.08.021 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine