Compound Detail
CHEMBL1789965
ASIATICOSIDE Enter ChEMBL ID:
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C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL1789965 |
| Name | ASIATICOSIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYQVAPGDARQUBT-JVGKFWCXSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
959.1
MW (Da)
-1.03
ALogP
19
HBA
12
HBD
315.2
PSA (Ų)
0.10
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.17 | 4.12 | 67900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 67900.0 | nM | 4.17 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21353543 |
| RAW264.7 | IC50 | = | 85700.0 | nM | 4.07 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21353543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21353543 | 10.1016/j.bmcl.2011.01.066 | RAW264.7 | 5 |
| 10673093 | 10.1016/s0960-894x(99)00658-7 | B103 cell line | 1 |
| 18517260 | 10.1021/jm8000949 | Glycogen phosphorylase, muscle form | 1 |
Data from ChEMBL 36 via Core Engine