Compound Detail

CHEMBL4579749

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Free Research Context This compound will appear in recent viewed items on the research home for this browser.

C=C1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[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(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4579749
Phase	Preclinical
Structure Type	MOL
InChI Key	VBMLPUVFKZSNCX-GLQRPIJYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

911.1

MW (Da)

0.70

ALogP

HBA

HBD

274.8

PSA (Å²)

0.12

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C47H74O17
MW	911.09
Aromatic Rings	0
Heavy Atoms	64
NP-Likeness	2.72

Literature References

PubMed	DOI	Target Context	# Activities
30808589	10.1016/j.bmcl.2019.02.022	RAW264.7	2

Data from ChEMBL 36 via Core Engine