Compound Detail
CHEMBL228183
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COc1cc([C@@H](O)[C@@H](O)CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL228183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIKGCVPVRTWXMM-DTXLLHAPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
-2.73
ALogP
11
HBA
7
HBD
178.5
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.81 | 4.81 | 15400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 15400.0 | nM | 4.81 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 34658231 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17461599 | 10.1021/np0700467 | ADMET | 2 |
| 34658231 | 10.1021/acs.jnatprod.1c00585 | RAW264.7 | 2 |
| 17461599 | 10.1021/np0700467 | Peritoneal macrophage cell | 1 |
| 17461599 | 10.1021/np0700467 | Liver microsomes | 1 |
| 17461599 | 10.1021/np0700467 | A2780 | 1 |
| 17461599 | 10.1021/np0700467 | HCT-8 | 1 |
| 17461599 | 10.1021/np0700467 | A549 | 1 |
Data from ChEMBL 36 via Core Engine