Compound Detail
CHEMBL137586
6-METHOXYFLAVONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL137586 |
| Name | 6-METHOXYFLAVONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZQLSABETMKIGG-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
3.47
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.47
Ki 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 6.24 | 6.24 | 570.0 | 1 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 5.47 | 5.235 | 3400.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 570.0 | nM | 6.24 | In vitro affinity against Benzodiazepine receptor binding to rat cortical membra... | 10543878 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining | 21354800 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining | 21354800 |
| Unchecked | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of P-gp expressed in A2780adr cells by calcein AM accumulation assay | 21354800 |
| ATP-dependent translocase ABCB1 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of MDR1 expressed in MDCK cells using rhodamine 123 staining by flow ... | 21354800 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19592245 | 10.1016/j.bmcl.2009.06.073 | Glucocorticoid receptor | 4 |
| 19592245 | 10.1016/j.bmcl.2009.06.073 | Androgen receptor | 3 |
| 10543878 | 10.1021/jm991010h | GABA-A receptor; anion channel | 2 |
| 21354800 | 10.1016/j.bmc.2010.12.043 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 21354800 | 10.1016/j.bmc.2010.12.043 | Unchecked | 2 |
| 28408221 | 10.1016/j.bmcl.2017.03.057 | RAW264.7 | 2 |
| 35576701 | 10.1016/j.ejmech.2022.114332 | Cytochrome P450 | 2 |
| 8523407 | 10.1021/jm00025a011 | Rattus norvegicus | 1 |
| 18158201 | 10.1016/j.ejmech.2007.11.009 | Unchecked | 1 |
| 21354800 | 10.1016/j.bmc.2010.12.043 | A2780 | 1 |
| 21354800 | 10.1016/j.bmc.2010.12.043 | MCF7 | 1 |
| 21354800 | 10.1016/j.bmc.2010.12.043 | ATP-dependent translocase ABCB1 | 1 |
| 12517100 | 10.1021/jf025627a | Spodoptera litura | 1 |
| 24116873 | 10.1021/jm401463y | Poly [ADP-ribose] polymerase tankyrase-1 | 1 |
| 35576701 | 10.1016/j.ejmech.2022.114332 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine