Compound Detail
CHEMBL596483
4,4',6-TRIMETHOXY-AURONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL596483 |
| Name | 4,4',6-TRIMETHOXY-AURONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOVVZRFSBDVBHE-PXNMLYILSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
3.33
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 11000.0 | nM | 4.96 | Antiplasmodial activity against Plasmodium falciparum FcB1/columbia infected in ... | 20630767 |
| Unchecked | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of soybean 5-lipoxygenase by UV-absorbance based enzyme assay | 19853459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19853459 | 10.1016/j.bmc.2009.10.002 | Radical scavenging activity | 4 |
| 19853459 | 10.1016/j.bmc.2009.10.002 | NON-PROTEIN TARGET | 3 |
| 22718431 | 10.1002/ps.3339 | Brassica rapa subsp. oleifera | 3 |
| 20392544 | 10.1016/j.ejmech.2010.03.023 | NAD(P)H dehydrogenase [quinone] 1 | 2 |
| 20392544 | 10.1016/j.ejmech.2010.03.023 | ADMET | 2 |
| 22718431 | 10.1002/ps.3339 | Echinochloa crus-galli | 2 |
| 19853459 | 10.1016/j.bmc.2009.10.002 | No relevant target | 1 |
| 19853459 | 10.1016/j.bmc.2009.10.002 | Unchecked | 1 |
| 20630767 | 10.1016/j.bmc.2010.06.008 | Plasmodium falciparum | 1 |
| 25455492 | 10.1016/j.bmcl.2014.10.019 | Histone deacetylase | 1 |
| 25455492 | 10.1016/j.bmcl.2014.10.019 | MCF7 | 1 |
| 25455492 | 10.1016/j.bmcl.2014.10.019 | HepG2 | 1 |
| 25455492 | 10.1016/j.bmcl.2014.10.019 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 25455492 | 10.1016/j.bmcl.2014.10.019 | Retinoic acid receptor beta | 1 |
Data from ChEMBL 36 via Core Engine