Compound Detail
CHEMBL458917
KAEMPFEROL TETRAACETATE Enter ChEMBL ID:
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CC(=O)Oc1ccc(-c2oc3cc(OC(C)=O)cc(OC(C)=O)c3c(=O)c2OC(C)=O)cc1
Basic Information
| ChEMBL ID | CHEMBL458917 |
| Name | KAEMPFEROL TETRAACETATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXAYHERJWMTSFV-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
454.4
MW (Da)
3.16
ALogP
10
HBA
0
HBD
135.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| J774.2 CHEMBL614484 | IC50 | 4.81 | 4.81 | 15560.0 | 1 |
| B16 CHEMBL381 | IC50 | 4.39 | 4.39 | 40700.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.31 | 4.31 | 48520.0 | 1 |
| Leishmania peruviana CHEMBL613215 | IC50 | 4.27 | 4.27 | 53320.0 | 1 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 4.16 | 4.16 | 68560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| J774.2 | IC50 | = | 15560.0 | nM | 4.81 | Cytotoxicity against BALB/c mouse J774.2 cells after 72 hrs by trypan blue assay | 19489596 |
| B16 | IC50 | = | 40700.0 | nM | 4.39 | Cytotoxicity against mouse B16 cells assessed as cell viability after 48 hrs by ... | 25659770 |
| Leishmania amazonensis | IC50 | = | 48520.0 | nM | 4.31 | Leishmanicidal activity against promastigote stage of Leishmania amazonensis MHO... | 25659770 |
| Leishmania peruviana | IC50 | = | 53320.0 | nM | 4.27 | Antileishmanial activity against extracellular Leishmania peruviana promastigote... | 19489596 |
| Leishmania braziliensis | IC50 | = | 68560.0 | nM | 4.16 | Antileishmanial activity against extracellular Leishmania braziliensis promastig... | 19489596 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8350094 | 10.1021/np50096a018 | Platelet | 4 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | L6 | 2 |
| 25659770 | 10.1016/j.ejmech.2015.01.012 | Trypanosoma brucei gambiense | 2 |
| 19489596 | 10.1021/np8008122 | Leishmania peruviana | 1 |
| 19489596 | 10.1021/np8008122 | Leishmania braziliensis | 1 |
| 19489596 | 10.1021/np8008122 | J774.2 | 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