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Compound Detail

CHEMBL463844

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COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL463844
Phase Preclinical
Structure Type MOL
InChI Key ZMBIVWMXUPESGV-JXGQDRBRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

534.5
MW (Da)
-3.38
ALogP
14
HBA
7
HBD
214.1
PSA (Ų)
0.13
QED
3
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H34O14
MW 534.51
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 2.46

Literature References

PubMed DOI Target Context # Activities
18303851 10.1021/np700758q NON-PROTEIN TARGET 1
23305920 10.1016/j.bmcl.2012.11.099 RAW264.7 1

Data from ChEMBL 36 via Core Engine