Compound Detail
CHEMBL356036
TETRAMETHYLKAEMPFEROL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL356036 |
| Name | TETRAMETHYLKAEMPFEROL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZWIIEJLESXODL-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
12
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 2 meas. best 4.4
Ki 2 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adenosine receptor A1 CHEMBL318 | Ki | 5.97 | 5.97 | 1070.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.47 | 5.47 | 3370.0 | 1 |
| Solute carrier family 22 member 2 CHEMBL1743122 | IC50 | 4.4 | 4.4 | 39470.0 | 1 |
| Solute carrier family 22 member 1 CHEMBL5685 | IC50 | 4.33 | 4.33 | 46960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adenosine receptor A1 | Ki | = | 1070.0 | nM | 5.97 | Displacement of specific [3H]PIA binding from adenosine A1 receptor in rat brain... | 8576921 |
| Adenosine receptor A3 | Ki | = | 3370.0 | nM | 5.47 | Displacement of [125I]AB-MECA binding to human Adenosine A3 receptor expressed i... | 8576921 |
| Solute carrier family 22 member 2 | IC50 | = | 39470.0 | nM | 4.4 | Inhibition of OCT2(unknown origin)-mediated ASP+ uptake in HEK293 cells expressi... | 36563333 |
| Solute carrier family 22 member 1 | IC50 | = | 46960.0 | nM | 4.33 | Inhibition of OCT1(unknown origin)-mediated ASP+ uptake in HEK293 cells expressi... | 36563333 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21493073 | 10.1016/j.bmc.2011.03.040 | 3T3-L1 | 38 |
| 36563333 | 10.1021/acs.jnatprod.2c00927 | HEK293 | 3 |
| 22961680 | 10.1124/dmd.112.047142 | ADMET | 2 |
| 36563333 | 10.1021/acs.jnatprod.2c00927 | Solute carrier family 22 member 1 | 2 |
| 9438021 | 10.1021/jm970446z | Adenosine receptor A1 | 1 |
| 9438021 | 10.1021/jm970446z | Adenosine receptor A2a | 1 |
| 9438021 | 10.1021/jm970446z | Adenosine receptor A3 | 1 |
| 8576921 | 10.1021/jm950661k | Adenosine receptor A1 | 1 |
| 8576921 | 10.1021/jm950661k | Adenosine receptor A2a | 1 |
| 8576921 | 10.1021/jm950661k | Adenosine receptor A3 | 1 |
| 33508466 | 10.1016/j.bmcl.2021.127828 | Candida albicans | 1 |
| 36563333 | 10.1021/acs.jnatprod.2c00927 | Solute carrier family 22 member 2 | 1 |
Data from ChEMBL 36 via Core Engine