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Compound Detail

CHEMBL256129

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CC(=O)c1c(O)cc(OC/C=C(\C)CCC=C(C)C)c2c1OC(C)(C)C=C2

Basic Information

ChEMBL ID CHEMBL256129
Phase Preclinical
Structure Type MOL
InChI Key DPMHJMPSIKBEBR-LFIBNONCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
5.85
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H30O4
MW 370.49
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness 2.65

Literature References

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

Data from ChEMBL 36 via Core Engine