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Compound Detail

CHEMBL4745805

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

Basic Information

ChEMBL ID CHEMBL4745805
Phase Preclinical
Structure Type MOL
InChI Key RMMXLHZEVYNSJO-LJEOGPRASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
0.50
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H28O6
MW 316.39
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 2.71

Literature References

PubMed DOI Target Context # Activities
32991171 10.1021/acs.jnatprod.0c00756 HT-22 1

Data from ChEMBL 36 via Core Engine