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Compound Detail

CHEMBL503930

ILEKUDINOSIDE E
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C[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O

Basic Information

ChEMBL ID CHEMBL503930
Name ILEKUDINOSIDE E
Phase Preclinical
Structure Type MOL
InChI Key RJERVICEUNVSDW-YZIKYWQWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

929.1
MW (Da)
-0.25
ALogP
18
HBA
11
HBD
295.0
PSA (Ų)
0.09
QED
3
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C47H76O18
MW 929.11
Aromatic Rings 0
Heavy Atoms 65
NP-Likeness 2.44

Literature References

PubMed DOI Target Context # Activities
10479318 10.1021/np990128y Sterol O-acyltransferase 1 3
15497942 10.1021/np040059+ Trypanosoma cruzi 1
15497942 10.1021/np040059+ Trypanosoma brucei 1

Data from ChEMBL 36 via Core Engine