Compound Detail
CHEMBL255493
SEQUOIAFLAVONE Enter ChEMBL ID:
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COc1cc(O)c2c(=O)cc(-c3ccc(O)c(-c4c(O)cc(O)c5c(=O)cc(-c6ccc(O)cc6)oc45)c3)oc2c1
Basic Information
| ChEMBL ID | CHEMBL255493 |
| Name | SEQUOIAFLAVONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYUMAYSMJLPFAN-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
552.5
MW (Da)
5.44
ALogP
10
HBA
5
HBD
170.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1010.0 | 1 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.23 | 4.23 | 58400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1010.0 | nM | 6.0 | Inhibition of PDE in Sprague-Dawley rat epididymal adipose tissue assessed as [1... | 9834158 |
| Beta-secretase 1 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of BACE1 after 60 mins by FRET assay | 20598535 |
| Amyloid-beta precursor protein | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation ... | 31138471 |
| MCF7 | IC50 | = | 58400.0 | nM | 4.23 | Cytotoxicity against human MCF7 cells measured after 24 hrs by MTT assay | 34875389 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9834158 | 10.1021/np970569m | Unchecked | 2 |
| 18179177 | 10.1021/np070629g | NCI-H187 | 1 |
| 18179177 | 10.1021/np070629g | NON-PROTEIN TARGET | 1 |
| 20598535 | 10.1016/j.bmcl.2010.06.021 | Beta-secretase 1 | 1 |
| 25736997 | 10.1016/j.bmcl.2015.02.026 | NON-PROTEIN TARGET | 1 |
| 26004578 | 10.1016/j.bmcl.2015.04.106 | NON-PROTEIN TARGET | 1 |
| 31138471 | 10.1016/j.bmcl.2019.05.020 | Amyloid-beta precursor protein | 1 |
| 34875389 | 10.1016/j.bmcl.2021.128486 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine