Compound Detail
CHEMBL470251
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OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccccc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL470251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTFNQPOMLDMAEW-GRHZDJGQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
0.74
ALogP
7
HBA
5
HBD
119.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.92 | 4.92 | 12100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 12100.0 | nM | 4.92 | inhibitory concentration against PGE-2 production in LPS-stimulated RAW264.7 cel... | 15501064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15501064 | 10.1016/j.bmcl.2004.09.022 | RAW264.7 | 1 |
| 15217293 | 10.1021/np0304823 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine