Compound Detail
CHEMBL575808
FISETIN TETRAMETHYL ETHER Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL575808 |
| Name | FISETIN TETRAMETHYL ETHER |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAMFTZBUZYVNST-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
3.49
ALogP
6
HBA
0
HBD
67.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 CHEMBL5393 | IC50 | 5.93 | 5.8 | 1180.0 | 2 |
| PC-3 CHEMBL390 | IC50 | 4.83 | 4.83 | 14900.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 4.81 | 4.81 | 15600.0 | 1 |
| BV-2 CHEMBL614781 | IC50 | 4.54 | 4.54 | 28510.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.51 | 4.51 | 30800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 1180.0 | nM | 5.93 | Inhibition of human BCRP expressed in MDCK2 cells assessed as accumulation of Ho... | 23851114 |
| Broad substrate specificity ATP-binding cassette transporter ABCG2 | IC50 | = | 2140.0 | nM | 5.67 | Inhibition of human BCRP expressed in MDCK2 cells assessed as accumulation of ph... | 23851114 |
| PC-3 | IC50 | = | 14900.0 | nM | 4.83 | Antiproliferative activity against human PC3 cells after 3 days by WST-1 assay | 30165345 |
| LNCaP | IC50 | = | 15600.0 | nM | 4.81 | Antiproliferative activity against human LNCAP cells after 3 days by WST-1 assay | 30165345 |
| BV-2 | IC50 | = | 28510.0 | nM | 4.54 | Anti-neuroinflammatory activity against mouse BV2 cells assessed as inhibition o... | 25466192 |
| DU-145 | IC50 | = | 30800.0 | nM | 4.51 | Antiproliferative activity against human DU145 cells after 3 days by WST-1 assay | 30165345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23851114 | 10.1016/j.ejmech.2013.06.035 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 2 |
| 19515570 | 10.1016/j.bmc.2009.05.051 | Radical scavenging activity | 1 |
| 19515570 | 10.1016/j.bmc.2009.05.051 | Unchecked | 1 |
| 25466192 | 10.1016/j.bmcl.2014.11.015 | BV-2 | 1 |
| 25466192 | 10.1016/j.bmcl.2014.11.015 | ADMET | 1 |
| 30165345 | 10.1016/j.ejmech.2018.08.047 | PC-3 | 1 |
| 30165345 | 10.1016/j.ejmech.2018.08.047 | DU-145 | 1 |
| 30165345 | 10.1016/j.ejmech.2018.08.047 | LNCaP | 1 |
Data from ChEMBL 36 via Core Engine