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Compound Detail

CHEMBL3329796

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C[C@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL3329796
Phase Preclinical
Structure Type MOL
InChI Key HWJIWDPYZVHRPJ-NMUPNISHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

921.1
MW (Da)
-1.78
ALogP
19
HBA
12
HBD
307.4
PSA (Ų)
0.10
QED
3
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C45H76O19
MW 921.08
Aromatic Rings 0
Heavy Atoms 64
NP-Likeness 2.34

Literature References

PubMed DOI Target Context # Activities
25036668 10.1021/np500057b Neutrophil 1

Data from ChEMBL 36 via Core Engine