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Compound Detail

CHEMBL1812031

LIBERTELLENONE E
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C=C[C@]1(C)C=C2C(=O)C3=C4[C@@](C)(CC[C@@H](O)[C@]4(C)[C@@]2(O)CC1)[C@@H](O)O3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1812031
Name LIBERTELLENONE E
Phase Preclinical
Structure Type MOL
InChI Key HLWYVYSGPCXCSB-ROEDYFHJSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
1.98
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H26O5
MW 346.42
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 3.38

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
21718054 10.1021/np200108h HUVEC 1
21718054 10.1021/np200108h NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine