Compound Detail
CHEMBL596482
3',4'-DIMETHOXY-AURONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL596482 |
| Name | 3',4'-DIMETHOXY-AURONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJYHPGCVLUAPLZ-YBEGLDIGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
3.32
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17B CHEMBL3980 | IC50 | 4.67 | 4.67 | 21430.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
| Histone deacetylase CHEMBL2093865 | IC50 | 4.15 | 4.15 | 71000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17B | IC50 | = | 21430.0 | nM | 4.67 | Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation ... | 28249207 |
| NON-PROTEIN TARGET | IC50 | = | 44000.0 | nM | 4.36 | Antioxidant activity assessed as hydrogen peroxide scavenging activity by peroxy... | 19853459 |
| Histone deacetylase | IC50 | = | 71000.0 | nM | 4.15 | Inhibition of HDAC in human HeLa cell extract after 15 mins by fluorescence assa... | 25455492 |
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 |
| 25455492 | 10.1016/j.bmcl.2014.10.019 | Histone deacetylase | 3 |
| 17263463 | 10.1021/jf062562t | Spodoptera litura | 2 |
| 19853459 | 10.1016/j.bmc.2009.10.002 | No relevant target | 1 |
| 17263463 | 10.1021/jf062562t | No relevant target | 1 |
| 25455492 | 10.1016/j.bmcl.2014.10.019 | ADMET | 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 |
| 28094180 | 10.1016/j.bmcl.2017.01.012 | Candida albicans | 1 |
| 28249207 | 10.1016/j.ejmech.2017.02.048 | Serine/threonine-protein kinase 17B | 1 |
Data from ChEMBL 36 via Core Engine