Compound Detail
CHEMBL2059292
METHOXYEUGENOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2059292 |
| Name | METHOXYEUGENOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWMPKHMKIJDEMJ-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
194.2
MW (Da)
2.14
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.16
Ki 2 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sialidase A CHEMBL4105839 | Ki | 5.38 | 5.38 | 4200.0 | 1 |
| Sialidase A CHEMBL4105839 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.52 | 4.52 | 30200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.47 | 4.29 | 33600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sialidase A | Ki | = | 4200.0 | nM | 5.38 | Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanA using 4-met... | 28551100 |
| Sialidase A | IC50 | = | 6900.0 | nM | 5.16 | Inhibition of Streptococcus pneumoniae sialidase NanA using 4-methylumbelliferyl... | 28551100 |
| Unchecked | Ki | = | 30200.0 | nM | 4.52 | Noncompetitive inhibition of Streptococcus pneumoniae sialidase NanC using 4-met... | 28551100 |
| Unchecked | IC50 | = | 33600.0 | nM | 4.47 | Inhibition of Streptococcus pneumoniae sialidase NanC using 4-methylumbelliferyl... | 28551100 |
| Unchecked | IC50 | = | 77600.0 | nM | 4.11 | Inhibition of Streptococcus pneumoniae sialidase NanB using 4-methylumbelliferyl... | 28551100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37355024 | 10.1016/j.bmcl.2023.129386 | Unchecked | 9 |
| 28551100 | 10.1016/j.bmcl.2017.05.055 | Unchecked | 5 |
| 22578462 | 10.1016/j.bmcl.2012.04.081 | Unchecked | 3 |
| 28551100 | 10.1016/j.bmcl.2017.05.055 | Sialidase A | 3 |
| 26508549 | 10.1016/j.bmcl.2015.10.034 | Isocitrate dehydrogenase [NADP] cytoplasmic | 2 |
| 36731248 | 10.1016/j.bmc.2023.117187 | Staphylococcus aureus | 2 |
| 33939429 | 10.1021/acs.jnatprod.1c00146 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine