Compound Detail
CHEMBL453479
KAYAFLAVONE Enter ChEMBL ID:
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COc1ccc(-c2cc(=O)c3c(O)cc(OC)c(-c4cc(-c5cc(=O)c6c(O)cc(O)cc6o5)ccc4OC)c3o2)cc1
Basic Information
| ChEMBL ID | CHEMBL453479 |
| Name | KAYAFLAVONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RROKRDUARFDCDH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
580.5
MW (Da)
6.04
ALogP
10
HBA
3
HBD
148.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.28 | 5.28 | 5290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 5290.0 | nM | 5.28 | Neuroprotective activity against 0.1 uM amyloid beta 42-induced toxicity in rat ... | 26004578 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26004578 | 10.1016/j.bmcl.2015.04.106 | NON-PROTEIN TARGET | 3 |
| 9134745 | 10.1021/np960608e | OVCAR-3 | 1 |
| 20598535 | 10.1016/j.bmcl.2010.06.021 | Beta-secretase 1 | 1 |
| 31138471 | 10.1016/j.bmcl.2019.05.020 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine