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Compound Detail

CHEMBL4866423

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C=C[C@](C)(CC/C=C(\C)CC(=O)CC(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4866423
Phase Preclinical
Structure Type MOL
InChI Key TXCKFSDEGAYOET-ATLWBFTFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
1.48
ALogP
7
HBA
4
HBD
116.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H36O7
MW 400.51
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 2.55

Literature References

PubMed DOI Target Context # Activities
33667099 10.1021/acs.jnatprod.0c01121 RAW264.7 2

Data from ChEMBL 36 via Core Engine