Compound Detail

CHEMBL2336744

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CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c3)O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2336744
Phase	Preclinical
Structure Type	MOL
InChI Key	IGEMAARQFGMGBZ-OTGHDJAGSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

944.8

MW (Da)

-4.88

ALogP

HBA

HBD

393.3

PSA (Å²)

0.07

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	C41H52O25
MW	944.84
Aromatic Rings	3
Heavy Atoms	66
NP-Likeness	1.61

Literature References

PubMed	DOI	Target Context	# Activities
23356964	10.1021/np300609u	Radical scavenging activity	1

Data from ChEMBL 36 via Core Engine