Compound Detail
CHEMBL229908
LIQUIRITIGENIN DIMETHYL ETHER Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL229908 |
| Name | LIQUIRITIGENIN DIMETHYL ETHER |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAEYGSBLDUIDTP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
3.41
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 5.73 | 5.73 | 1860.0 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.14 | 5.14 | 7180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatase | IC50 | = | 1860.0 | nM | 5.73 | Inhibition of human aromatase | 17511439 |
| Amine oxidase [flavin-containing] B | IC50 | = | 7180.0 | nM | 5.14 | Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells by para-tyr... | 20045650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17511439 | 10.1021/jm070109i | Aromatase | 1 |
| 20045650 | 10.1016/j.bmc.2009.12.029 | Unchecked | 1 |
| 20045650 | 10.1016/j.bmc.2009.12.029 | Amine oxidase [flavin-containing] B | 1 |
| 20045650 | 10.1016/j.bmc.2009.12.029 | Amine oxidase [flavin-containing] A | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
Data from ChEMBL 36 via Core Engine