Compound Detail
CHEMBL4747791
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O=C1/C=C/c2ccc(O)c(c2)O[C@@H]2O[C@H](COC(=O)/C=C/c3cc(O)c(O)cc3C1)[C@@H](O)[C@H](O)[C@H]2O
Basic Information
| ChEMBL ID | CHEMBL4747791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CNFDIWVVYYNXHH-XQBAVTGNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.5
MW (Da)
0.38
ALogP
11
HBA
6
HBD
183.2
PSA (Ų)
0.22
QED
3
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-22 CHEMBL614316 | EC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-22 | EC50 | = | 8300.0 | nM | 5.08 | Neuroprotective activity against glutamate-induced cell death in mouse HT-22 cel... | 32991171 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32991171 | 10.1021/acs.jnatprod.0c00756 | HT-22 | 1 |
Data from ChEMBL 36 via Core Engine