Compound Detail
CHEMBL5084408
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COc1cc(C)c(C(=O)c2c(O)cc(OC)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL5084408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWKUHGCKOVFRKN-BZGGIJSCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
466.4
MW (Da)
-0.17
ALogP
11
HBA
6
HBD
175.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.63 | 4.63 | 23300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 23300.0 | nM | 4.63 | Antiinflammatory activity in mouse RAW 264.7 cells assessed as inhibition of LPS... | 35007071 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35007071 | 10.1021/acs.jnatprod.1c00900 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine