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Compound Detail

CHEMBL462767

PHILLYRIN
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COc1ccc([C@H]2OC[C@H]3[C@@H]2CO[C@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL462767
Name PHILLYRIN
Phase Preclinical
Structure Type MOL
InChI Key KFFCKOBAHMGTMW-GBRPDIMTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

534.6
MW (Da)
0.97
ALogP
11
HBA
4
HBD
145.5
PSA (Ų)
0.38
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H34O11
MW 534.56
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness 1.40

Literature References

PubMed DOI Target Context # Activities
18666799 10.1021/np800144q No relevant target 6
16038536 10.1021/np049655u Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine