Compound Detail
CHEMBL450522
SOTETSUFLAVONE Enter ChEMBL ID:
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COc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1-c1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)ccc1O
Basic Information
| ChEMBL ID | CHEMBL450522 |
| Name | SOTETSUFLAVONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIFVLHZEBAXHPM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
1
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 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nonstructural protein 5 CHEMBL4295629 | IC50 | 6.8 | 6.8 | 160.0 | 2 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.8 | 5.8 | 1580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nonstructural protein 5 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of DENV NS5/RNA-dependent RNA polymerase | 34274831 |
| Nonstructural protein 5 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of DENV C-terminal histidine-tagged NS5/RNA-dependent RNA polymerase | 37159959 |
| Beta-secretase 1 | IC50 | = | 1580.0 | nM | 5.8 | Inhibition of BACE1 after 60 mins by FRET assay | 20598535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12502337 | 10.1021/np020289t | Unchecked | 1 |
| 12502337 | 10.1021/np020289t | Candida albicans | 1 |
| 12502337 | 10.1021/np020289t | Cryptococcus neoformans | 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 |
| 34274831 | 10.1016/j.ejmech.2021.113698 | Nonstructural protein 5 | 1 |
| 37159959 | 10.1016/j.ejmech.2023.115416 | Nonstructural protein 5 | 1 |
Data from ChEMBL 36 via Core Engine