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Compound Detail

CHEMBL3394951

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CCCCCCCCCCC[C@H](O)CC[C@H](O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@H](O)CCCCCCCCC3=C[C@H](C)OC3=O)O2)O1

Basic Information

ChEMBL ID CHEMBL3394951
Phase Preclinical
Structure Type MOL
InChI Key LYCJUZXESKUUAZ-AUDZWCKFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

622.9
MW (Da)
7.86
ALogP
7
HBA
3
HBD
105.5
PSA (Ų)
0.07
QED
2
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C37H66O7
MW 622.93
Aromatic Rings 0
Heavy Atoms 44
NP-Likeness 1.93

Literature References

PubMed DOI Target Context # Activities
25582602 10.1016/j.bmcl.2014.12.088 A549 1

Data from ChEMBL 36 via Core Engine