Compound Detail
CHEMBL3325485
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COc1ccc(Oc2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
Basic Information
| ChEMBL ID | CHEMBL3325485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIQZTOOLPDEEEQ-RECXWPGBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.4
MW (Da)
0.48
ALogP
11
HBA
5
HBD
168.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.67 | 4.67 | 21420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 21420.0 | nM | 4.67 | Inhibition of NO production in LPS-stimulated mouse RAW264.7 cells pre-incubated... | 25176187 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25176187 | 10.1016/j.bmcl.2014.08.004 | RAW264.7 | 2 |
Data from ChEMBL 36 via Core Engine