Compound Detail

CHEMBL3329800

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3329800
Phase	Preclinical
Structure Type	MOL
InChI Key	JDUFBRHDOKUILI-CNFRJMSKSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

891.1

MW (Da)

-0.88

ALogP

HBA

HBD

276.1

PSA (Å²)

0.11

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula	C44H74O18
MW	891.06
Aromatic Rings	0
Heavy Atoms	62
NP-Likeness	2.34

Literature References

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

Data from ChEMBL 36 via Core Engine