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Compound Detail

CHEMBL255248

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CC(C)=CCC/C(C)=C/COc1cc(O)cc(O)c1C(=O)CO

Basic Information

ChEMBL ID CHEMBL255248
Phase Preclinical
Structure Type MOL
InChI Key WZBHGSCBQIAXHJ-NTUHNPAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
3.34
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.50
QED
0
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 C18H24O5
MW 320.39
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 2.09

Literature References

PubMed DOI Target Context # Activities
18163582 10.1021/np0704349 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine