Compound Detail
CHEMBL52825
6-BROMOFLAVONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL52825 |
| Name | 6-BROMOFLAVONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPOZDKMXSPAATL-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
301.1
MW (Da)
4.22
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.16
IC50 2 meas. best 4.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 7.16 | 7.14 | 70.0 | 2 |
| GABA-A receptor; anion channel CHEMBL2093872 | Ki | 7.15 | 7.15 | 70.8 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.47 | 4.47 | 33480.0 | 1 |
| MDA-MB-468 CHEMBL614335 | IC50 | 4.32 | 4.32 | 48230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 70.0 | nM | 7.16 | In vitro affinity against Benzodiazepine receptor binding to rat cortical membra... | 10543878 |
| GABA-A receptor; anion channel | Ki | = | 70.79 | nM | 7.15 | Binding affinity towards benzodiazepine site in GABAA receptor | 11384234 |
| GABA-A receptor; anion channel | Ki | = | 75.0 | nM | 7.12 | Displacement of [3H]flunitrazepine binding from GABA-A central benzodiazepine re... | - |
| MDA-MB-231 | IC50 | = | 33480.0 | nM | 4.47 | Antiproliferative activity against human MDA-MB-231 cells incubated for 24 hrs b... | 34908415 |
| MDA-MB-468 | IC50 | = | 48230.0 | nM | 4.32 | Antiproliferative activity against human MDA-MB-468 cells incubated for 24 hrs b... | 34908415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10543878 | 10.1021/jm991010h | GABA-A receptor; anion channel | 2 |
| 20415424 | 10.1021/jf100073j | Spodoptera frugiperda | 2 |
| - | 10.1016/S0960-894X(97)00343-0 | GABA-A receptor; anion channel | 1 |
| 11384234 | 10.1021/jm000557p | GABA-A receptor; anion channel | 1 |
| 18068365 | 10.1016/j.bmcl.2007.11.081 | Aspergillus niger | 1 |
| 18068365 | 10.1016/j.bmcl.2007.11.081 | Fusarium oxysporum | 1 |
| 18158201 | 10.1016/j.ejmech.2007.11.009 | Unchecked | 1 |
| 34908415 | 10.1021/acs.jmedchem.1c01382 | Bromodomain-containing protein 4 | 1 |
| 34908415 | 10.1021/acs.jmedchem.1c01382 | Casein kinase 2 | 1 |
| 34908415 | 10.1021/acs.jmedchem.1c01382 | MDA-MB-231 | 1 |
| 34908415 | 10.1021/acs.jmedchem.1c01382 | MDA-MB-468 | 1 |
Data from ChEMBL 36 via Core Engine