Compound Detail
CHEMBL3325469
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O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@H](O)C[C@](O)(C(=O)O)C[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL3325469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFCLZKMFXSILNL-JFZVQIRRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
516.5
MW (Da)
1.03
ALogP
11
HBA
7
HBD
211.3
PSA (Ų)
0.16
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.7 | 4.7 | 20170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 20170.0 | nM | 4.7 | 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 |
| 31646857 | 10.1021/acs.jnatprod.9b00674 | Unchecked | 1 |
| 31646857 | 10.1021/acs.jnatprod.9b00674 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine