Compound Detail
CHEMBL4643682
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COC(=O)c1ccc2c(c1)C[C@H]1[C@]3(C)C[C@@H](O)[C@H]4C(C)(C)CC[C@@H](O)[C@]4(C)[C@H]3[C@@H](O)C[C@]1(C)O2
Basic Information
| ChEMBL ID | CHEMBL4643682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHWVOKQFEBHUQZ-MNORRYNNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
472.6
MW (Da)
3.74
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Microglia CHEMBL4296521 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Microglia | IC50 | = | 100.0 | nM | 7.0 | Antiinflammatory activity against LPS-induced rat Primary neonatal microglia ass... | 32282204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32282204 | 10.1021/acs.jnatprod.9b00844 | Microglia | 2 |
Data from ChEMBL 36 via Core Engine