Compound Detail
CHEMBL1083808
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O=C1C[C@@H](c2ccccc2)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c21
Basic Information
| ChEMBL ID | CHEMBL1083808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GPGFGFUBECSNTG-SFTVRKLSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
0.28
ALogP
9
HBA
5
HBD
145.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.72 | 4.72 | 19200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 19200.0 | nM | 4.72 | Antiinflammatory activity against mouse RAW264.7 cells assessed as Inhibition of... | 20121165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20121165 | 10.1021/np9004294 | RAW264.7 | 2 |
| 20121165 | 10.1021/np9004294 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine