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Compound Detail

CHEMBL540943

KIZUTA CIRENSENOSIDE O SAPONIN K3
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C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CC[C@@H]6[C@@]7(C)CC[C@H](O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL540943
Name KIZUTA CIRENSENOSIDE O SAPONIN K3
Phase Preclinical
Structure Type MOL
InChI Key YGSBJLPWANWGED-HYXYOFMCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

943.1
MW (Da)
0.14
ALogP
18
HBA
11
HBD
295.0
PSA (Ų)
0.11
QED
3
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C48H78O18
MW 943.13
Aromatic Rings 0
Heavy Atoms 66
NP-Likeness 2.57

Literature References

PubMed DOI Target Context # Activities
30808589 10.1016/j.bmcl.2019.02.022 RAW264.7 2
19449879 10.1021/np900164b HL-60 1
20540535 10.1021/np100057y Prostaglandin G/H synthase 1 1
20540535 10.1021/np100057y Prostaglandin G/H synthase 2 1
31301930 10.1016/j.bmcl.2019.07.010 RAW264.7 1

Data from ChEMBL 36 via Core Engine