Compound Detail
CHEMBL4173779
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COc1cc(O)cc2occ(-c3ccc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3O)c(=O)c12
Basic Information
| ChEMBL ID | CHEMBL4173779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVTIUGNKNOJFBB-RECXWPGBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.4
MW (Da)
0.06
ALogP
11
HBA
6
HBD
179.3
PSA (Ų)
0.30
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 470.0 | nM | 6.33 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells pretre... | 29932657 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29932657 | 10.1021/acs.jnatprod.8b00182 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine