Compound Detail
CHEMBL452979
LONICERIN Enter ChEMBL ID:
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C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL452979 |
| Name | LONICERIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHPPXMGVUDNKLV-KMFFXDMSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
594.5
MW (Da)
-1.39
ALogP
15
HBA
9
HBD
249.2
PSA (Ų)
0.15
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.62 | 5.62 | 2370.0 | 1 |
| Xanthine dehydrogenase/oxidase CHEMBL1929 | IC50 | 4.92 | 4.92 | 11900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2370.0 | nM | 5.62 | Antioxidant activity assessed as superoxide-scavenging activity by nitrite metho... | 9461655 |
| Xanthine dehydrogenase/oxidase | IC50 | = | 11900.0 | nM | 4.92 | Inhibition of xanthine oxidase assessed as decrease in uric acid production by s... | 9461655 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3379415 | 10.1021/np50056a030 | Xanthine dehydrogenase/oxidase | 1 |
| 9461655 | 10.1021/np970237h | Xanthine dehydrogenase/oxidase | 1 |
| 9461655 | 10.1021/np970237h | NON-PROTEIN TARGET | 1 |
| 21719287 | 10.1016/j.bmcl.2011.05.087 | Osteoblast | 1 |
Data from ChEMBL 36 via Core Engine