Compound Detail
CHEMBL4456613
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OC[C@H]1O[C@@H](Oc2ccc(Cc3c(O)ccc4c3CCc3cc(O)ccc3-4)cc2)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4456613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPCMKLQRNSMVCM-IURCNINISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.5
MW (Da)
1.63
ALogP
8
HBA
6
HBD
139.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BV-2 CHEMBL614781 | IC50 | 4.75 | 4.75 | 17900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BV-2 | IC50 | = | 17900.0 | nM | 4.75 | Antineuroinflammatory activity against mouse BV2 cells assessed as inhibition of... | 31415170 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31415170 | 10.1021/acs.jnatprod.9b00291 | BV-2 | 1 |
Data from ChEMBL 36 via Core Engine