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Compound Detail

CHEMBL2426501

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CC(=O)O[C@H]1C=C(CCO)[C@@H](C)C[C@H]2OC(=O)[C@@H](C)[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2426501
Phase Preclinical
Structure Type MOL
InChI Key RYPWQIGVZVKJLS-OOUKEXCNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
1.44
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H22O5
MW 282.34
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 2.95

Literature References

PubMed DOI Target Context # Activities
24044895 10.1016/j.ejmech.2013.07.018 MCF-10A 1
24044895 10.1016/j.ejmech.2013.07.018 MDA-MB-231 1
24044895 10.1016/j.ejmech.2013.07.018 MCF7 1

Data from ChEMBL 36 via Core Engine