Compound Detail
CHEMBL374055
7'',4'''-dimethylamentoflavone 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(OC)c(-c4cc(-c5cc(=O)c6c(O)cc(O)cc6o5)ccc4O)c3o2)cc1
Basic Information
| ChEMBL ID | CHEMBL374055 |
| Name | 7'',4'''-dimethylamentoflavone |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQGLUEWZRKIEGS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
566.5
MW (Da)
5.74
ALogP
10
HBA
4
HBD
159.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 4.7 | 4.7 | 20100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 20100.0 | nM | 4.7 | Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation ... | 31138471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17027271 | 10.1016/j.bmcl.2006.09.042 | ADMET | 3 |
| 17027271 | 10.1016/j.bmcl.2006.09.042 | Cathepsin K | 1 |
| 17027271 | 10.1016/j.bmcl.2006.09.042 | A549 | 1 |
| 17027271 | 10.1016/j.bmcl.2006.09.042 | DU-145 | 1 |
| 17027271 | 10.1016/j.bmcl.2006.09.042 | MDA-MB-231 | 1 |
| 17027271 | 10.1016/j.bmcl.2006.09.042 | HT-29 | 1 |
| 17027271 | 10.1016/j.bmcl.2006.09.042 | MCF7 | 1 |
| 17027271 | 10.1016/j.bmcl.2006.09.042 | B16 | 1 |
| 20598535 | 10.1016/j.bmcl.2010.06.021 | Beta-secretase 1 | 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 |
Data from ChEMBL 36 via Core Engine