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Compound Detail

CHEMBL2336747

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C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](OC(=O)/C=C\c2ccc(O)cc2)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2336747
Phase Preclinical
Structure Type MOL
InChI Key ZAROMCHBMXTZEN-MHKFSQCBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

562.6
MW (Da)
-0.18
ALogP
12
HBA
6
HBD
184.6
PSA (Ų)
0.18
QED
3
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H34O12
MW 562.57
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness 1.71

Literature References

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

Data from ChEMBL 36 via Core Engine