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Compound Detail

CHEMBL2170707

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COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(OC)cc(C)cc3O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2170707
Phase Preclinical
Structure Type MOL
InChI Key CZUPKYVTIMIXKO-GWNOIRNCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
3.44
ALogP
7
HBA
2
HBD
94.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H28O7
MW 476.53
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 1.42

Literature References

PubMed DOI Target Context # Activities
23025805 10.1021/jm3011542 Eukaryotic initiation factor 4A-I 3
23025805 10.1021/jm3011542 MDA-MB-231 1

Data from ChEMBL 36 via Core Engine