Compound Detail
CHEMBL506880
HEDERASAPONIN B Enter ChEMBL ID:
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C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)[C@H]5CC=C6[C@@H]7CC(C)(C)CC[C@]7(C(=O)O[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@@H](C)[C@H](O)[C@@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL506880 |
| Name | HEDERASAPONIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVSLBOBPSCMMSO-BVLVEXITSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
1205.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.22
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| J774 | IC50 | = | 60.0 | nM | 7.22 | Antiproliferative activity against mouse J774 cells assessed as reduction of cel... | 10757708 |
| WEHI-164 | IC50 | = | 600.0 | nM | 6.22 | Antiproliferative activity against mouse WEHI164 cells assessed as reduction of ... | 10757708 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29202401 | 10.1016/j.ejmech.2017.11.040 | PC-12 | 5 |
| 10757708 | 10.1021/np990231n | J774 | 1 |
| 10757708 | 10.1021/np990231n | HEK293 | 1 |
| 10757708 | 10.1021/np990231n | WEHI-164 | 1 |
| 17125224 | 10.1021/np060195+ | Pancreatic triacylglycerol lipase | 1 |
| 20540535 | 10.1021/np100057y | Prostaglandin G/H synthase 2 | 1 |
| 20540535 | 10.1021/np100057y | Prostaglandin G/H synthase 1 | 1 |
| 27400231 | 10.1021/acs.jnatprod.6b00329 | Cortical neurone | 1 |
| 31301930 | 10.1016/j.bmcl.2019.07.010 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine