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Compound Detail

CHEMBL1910841

KALOPANAXSAPONIN C
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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](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O[C@@H]6O[C@H](CO[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL1910841
Name KALOPANAXSAPONIN C
Phase Preclinical
Structure Type MOL
InChI Key WPOFJVWZECLVLS-SLQVDRJLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

1383.5
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C65H106O31
MW 1383.53

Activity Summary

IC50 1 meas. best 5.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.41 5.41 3900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 3900.0 nM 5.41 Inhibition of TNF-alpha-induced NFkappaB activation in human HepG2 cells after 1... 21870831

Literature References

PubMed DOI Target Context # Activities
21870831 10.1021/np200382s Unchecked 3
21870831 10.1021/np200382s HepG2 1

Data from ChEMBL 36 via Core Engine