Compound Detail
CHEMBL259025
EDGEWORIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL259025 |
| Name | EDGEWORIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNLKKLCKMRDNHF-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
322.3
MW (Da)
3.40
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| DNA polymerase beta CHEMBL4343 | IC50 | 4.65 | 4.65 | 22500.0 | 1 |
| DNA polymerase beta CHEMBL2392 | IC50 | 4.5 | 4.455 | 31430.0 | 2 |
| A549 CHEMBL392 | IC50 | 4.1 | 4.1 | 80200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| DNA polymerase beta | IC50 | = | 22500.0 | nM | 4.65 | Inhibition of lyase activity of rat DNA polymerase beta after 30 mins | 15387673 |
| DNA polymerase beta | IC50 | = | 31430.0 | nM | 4.5 | Inhibition of polymerase activity of DNA polymerase beta | 18343122 |
| DNA polymerase beta | IC50 | = | 38880.0 | nM | 4.41 | Inhibition of lyase activity of DNA polymerase beta | 18343122 |
| A549 | IC50 | = | 80200.0 | nM | 4.1 | Cytotoxicity against human A549 cells after 1 hr by MTT assay | 18343122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18343122 | 10.1016/j.bmc.2008.02.071 | DNA polymerase beta | 3 |
| 18343122 | 10.1016/j.bmc.2008.02.071 | A549 | 3 |
| 15387673 | 10.1021/np040127s | DNA polymerase beta | 2 |
| 15387673 | 10.1021/np040127s | A549 | 2 |
| 32791195 | 10.1016/j.bmcl.2020.127490 | Keap1/Nrf2 | 2 |
| 32791195 | 10.1016/j.bmcl.2020.127490 | Unchecked | 2 |
| 29032032 | 10.1016/j.ejmech.2017.10.009 | Alpha-glucosidase | 1 |
Data from ChEMBL 36 via Core Engine