Compound Detail
CHEMBL1086150
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COc1cc([C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3O2)ccc1O
Basic Information
| ChEMBL ID | CHEMBL1086150 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZQCCKUDYVSOLC-YMTXFHFDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
464.4
MW (Da)
-0.01
ALogP
11
HBA
6
HBD
175.4
PSA (Ų)
0.35
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| 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 | 23400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 23400.0 | nM | 4.63 | Antiinflammatory activity against mouse RAW264.7 cells assessed as Inhibition of... | 20121165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20121165 | 10.1021/np9004294 | RAW264.7 | 2 |
| 20121165 | 10.1021/np9004294 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine