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Compound Detail

CHEMBL267701

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CC(=O)c1c(O)cc(OC/C=C(\C)CCC=C(C)C)c2c1OC(C)(CCC=C(C)C)C=C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL267701
Phase Preclinical
Structure Type MOL
InChI Key XSSCFVOPJZDLBW-KGENOOAVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.6
MW (Da)
7.58
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H38O4
MW 438.61
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 2.62

Literature References

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

Data from ChEMBL 36 via Core Engine