Compound Detail
CHEMBL109330
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COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(O)c(C(C)=O)c(C)cc2c1
Basic Information
| ChEMBL ID | CHEMBL109330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHKWPHRULCFTBB-CZNQJBLBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
0.24
ALogP
9
HBA
5
HBD
145.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 4.16 | 4.16 | 69000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 69000.0 | nM | 4.16 | Inhibitory activity against nitric oxide production in LPS-activated mouse perit... | 10714491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10714491 | 10.1016/s0960-894x(99)00702-7 | Mus musculus | 1 |
| 12932135 | 10.1021/np0301442 | Radical scavenging activity | 1 |
| 22280816 | 10.1016/j.ejmech.2011.12.029 | Mycobacterium tuberculosis | 1 |
| 32111435 | 10.1016/j.bmcl.2020.127049 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine