Compound Detail
CHEMBL9323
DIHYDROKAEMPFEROL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL9323 |
| Name | DIHYDROKAEMPFEROL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PADQINQHPQKXNL-LSDHHAIUSA-N |
3
Targets
5
Activities
2
Assay Types
1
PK Parameters
20
Publications
0
Known Names
Molecular Properties
288.2
MW (Da)
1.48
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.13
Ki 1 meas. best 4.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosinase CHEMBL3318 | Ki | 4.38 | 4.38 | 42000.0 | 1 |
| Tyrosinase CHEMBL3318 | IC50 | 4.13 | 4.13 | 73600.0 | 1 |
| B16 CHEMBL381 | IC50 | 4.08 | 4.08 | 84000.0 | 1 |
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 4.03 | 4.03 | 93800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| KA | 0.094 | 10'6L/mol | Agaricus bisporus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosinase | Ki | = | 42000.0 | nM | 4.38 | Competitive type inhibition of monophenolase activity of mushroom tyrosinase ass... | 30871862 |
| Tyrosinase | IC50 | = | 73600.0 | nM | 4.13 | Inhibition of monophenolase activity of mushroom tyrosinase assessed as reductio... | 30871862 |
| B16 | IC50 | = | 84000.0 | nM | 4.08 | Inhibition of melanogenesis in theophylline-stimulated mouse B16-4A5 cells after... | 19615910 |
| Xanthine dehydrogenase/oxidase | IC50 | = | 93800.0 | nM | 4.03 | Inhibition of cow milk xanthine oxidase | 3379415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30871862 | 10.1016/j.bmc.2019.03.013 | Tyrosinase | 12 |
| 19615910 | 10.1016/j.bmc.2009.06.057 | Tyrosinase | 6 |
| 19615910 | 10.1016/j.bmc.2009.06.057 | NON-PROTEIN TARGET | 6 |
| 19615910 | 10.1016/j.bmc.2009.06.057 | Unchecked | 5 |
| 12643908 | 10.1016/s0960-894x(03)00088-x | Mus musculus | 4 |
| 20189399 | 10.1016/j.bmc.2010.01.046 | Unchecked | 4 |
| 23137376 | 10.1021/np3003468 | LoVo | 3 |
| 26227773 | 10.1016/j.bmcl.2015.07.017 | Pancreatic triacylglycerol lipase | 2 |
| 23137376 | 10.1021/np3003468 | Unchecked | 2 |
| 3379415 | 10.1021/np50056a030 | Xanthine dehydrogenase/oxidase | 2 |
| 11374975 | 10.1021/np000569d | Calu-1 | 1 |
| 11678652 | 10.1021/np010288l | Aromatase | 1 |
| - | 10.1021/np50040a007 | Coniophora puteana | 1 |
| 11374975 | 10.1021/np000569d | HeLa | 1 |
| 19615910 | 10.1016/j.bmc.2009.06.057 | B16 | 1 |
| 11374975 | 10.1021/np000569d | K562 | 1 |
| 11374975 | 10.1021/np000569d | Raji | 1 |
| 20045650 | 10.1016/j.bmc.2009.12.029 | Unchecked | 1 |
| 11374975 | 10.1021/np000569d | Vero | 1 |
| 32118424 | 10.1021/acs.jnatprod.9b01120 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine