Compound Detail
CHEMBL2297279
KAEMPFEROL 3-O-D-GALACTOSIDE Enter ChEMBL ID:
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O=c1c(OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12
Basic Information
| ChEMBL ID | CHEMBL2297279 |
| Name | KAEMPFEROL 3-O-D-GALACTOSIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPUKWEQWGBDDQB-HBDJNLTOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
448.4
MW (Da)
-0.24
ALogP
11
HBA
7
HBD
190.3
PSA (Ų)
0.28
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 12.0 | nM | 7.92 | Inhibition of AChE (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0353-y | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine