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Compound Detail

CHEMBL482068

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CC(=O)c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O

Basic Information

ChEMBL ID CHEMBL482068
Phase Preclinical
Structure Type MOL
InChI Key CDXXSGIGLKUTIE-RGDJUOJXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
-1.23
ALogP
8
HBA
5
HBD
136.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18O8
MW 314.29
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 1.74

Literature References

PubMed DOI Target Context # Activities
19097778 10.1016/j.bmcl.2008.11.112 Solute carrier family 28 member 3 1

Data from ChEMBL 36 via Core Engine