Compound Detail
CHEMBL4792713
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
COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1
Basic Information
| ChEMBL ID | CHEMBL4792713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJXWLTXWMAHZKG-FZJBFPPASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
796.7
MW (Da)
-2.40
ALogP
20
HBA
9
HBD
303.2
PSA (Ų)
0.09
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-22 CHEMBL614316 | EC50 | 4.16 | 4.16 | 69700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-22 | EC50 | = | 69700.0 | nM | 4.16 | 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