Compound Detail
CHEMBL4745857
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O=C(O)/C=C/C=C/c1ccc(O)c(O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)c1
Basic Information
| ChEMBL ID | CHEMBL4745857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKYSQGVTVICFIV-XFONGWJASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
530.5
MW (Da)
0.90
ALogP
11
HBA
7
HBD
203.4
PSA (Ų)
0.10
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-22 CHEMBL614316 | EC50 | 4.25 | 4.25 | 56200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-22 | EC50 | = | 56200.0 | nM | 4.25 | 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