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Compound Detail

CHEMBL2426508

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C=C1C(=O)O[C@H]2C[C@H](C)[C@H]3[C@@H](O)C[C@@](C)(O)[C@@]34O[C@H]4[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2426508
Phase Preclinical
Structure Type MOL
InChI Key MBMTVBZMAJEBHZ-HARDSKOVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
0.39
ALogP
5
HBA
2
HBD
79.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H20O5
MW 280.32
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 3.59

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