Compound Detail
CHEMBL526701
CLEMATOMANDSHURICA SAPONIN A Enter ChEMBL ID:
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COc1ccc(/C=C/C(=O)O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](O[C@@H]4CO[C@@H](O[C@@H]5[C@@H](O)[C@H](C)O[C@@H](O[C@H]6[C@H](O[C@H]7CC[C@]8(C)[C@H]9CC=C%10[C@@H]%11CC(C)(C)CC[C@]%11(C(=O)O[C@@H]%11O[C@H](CO[C@@H]%12O[C@H](CO)[C@@H](O[C@@H]%13O[C@@H](C)[C@H](O)[C@@H](O)[C@H]%13O)[C@H](O)[C@H]%12O)[C@@H](O)[C@H](O)[C@H]%11O)CC[C@@]%10(C)[C@]9(C)CC[C@H]8C7(C)C)OC[C@H](O)[C@@H]6O)[C@@H]5O)[C@H](O)[C@@H]4O)O[C@H](CO)[C@H]3O)O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O
Basic Information
| ChEMBL ID | CHEMBL526701 |
| Name | CLEMATOMANDSHURICA SAPONIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPRWMYIWVVAUEC-KQFZDZHOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1984.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 5.58 | 5.58 | 2660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 2660.0 | nM | 5.58 | Inhibition of LPS-induced COX2 activity in C57BL/6J mouse peritoneal macrophages... | 17125227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17125227 | 10.1021/np060287z | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine