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Compound Detail

CHEMBL2336740

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COc1ccc(-c2cc(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc3o2)cc1

Basic Information

ChEMBL ID CHEMBL2336740
Phase Preclinical
Structure Type MOL
InChI Key CHKISICUUFEQQP-WCKBVOABSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

916.8
MW (Da)
-5.15
ALogP
24
HBA
13
HBD
376.3
PSA (Ų)
0.08
QED
3
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C40H52O24
MW 916.83
Aromatic Rings 3
Heavy Atoms 64
NP-Likeness 1.46

Literature References

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

Data from ChEMBL 36 via Core Engine