Compound Detail
CHEMBL351607
3,6-DIMETHOXY KAEMPFEROL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL351607 |
| Name | 3,6-DIMETHOXY KAEMPFEROL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDNPCXHBFYJXBJ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
2.59
ALogP
7
HBA
3
HBD
109.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 7.52 | 7.41 | 30.0 | 2 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.09 | 5.09 | 8070.0 | 1 |
| B16 CHEMBL381 | IC50 | 4.13 | 4.13 | 74100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 30.0 | nM | 7.52 | Inhibition of cow milk xanthine oxidase | 3379415 |
| Xanthine dehydrogenase/oxidase | IC50 | = | 50.0 | nM | 7.3 | Inhibition of bovine milk xanthine oxidase using xanthine as substrate preincuba... | 29207340 |
| Leishmania amazonensis | IC50 | = | 8070.0 | nM | 5.09 | Leishmanicidal activity against promastigote stage of Leishmania amazonensis MHO... | 25659770 |
| B16 | IC50 | = | 74100.0 | nM | 4.13 | Cytotoxicity against mouse B16 cells assessed as cell viability after 48 hrs by ... | 25659770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1847431 | 10.1021/jm00106a039 | Enterovirus C | 4 |
| 29207340 | 10.1016/j.ejmech.2017.11.071 | Xanthine dehydrogenase/oxidase | 3 |
| 3379415 | 10.1021/np50056a030 | Xanthine dehydrogenase/oxidase | 2 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | L6 | 2 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | Trypanosoma brucei gambiense | 2 |
| 1847431 | 10.1021/jm00106a039 | Vero | 1 |
| 1847431 | 10.1021/jm00106a039 | ADMET | 1 |
| 22512738 | 10.1021/np2009797 | 3T3-L1 | 1 |
| - | 10.1007/s00044-011-9767-1 | Entamoeba histolytica | 1 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | B16 | 1 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | NON-PROTEIN TARGET | 1 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | Leishmania amazonensis | 1 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine