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Compound Detail

CHEMBL514177

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O=C(CCc1ccc(O)cc1)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O

Basic Information

ChEMBL ID CHEMBL514177
Phase Preclinical
Structure Type MOL
InChI Key GSTCPEBQYSOEHV-QNDFHXLGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

436.4
MW (Da)
-0.20
ALogP
10
HBA
7
HBD
177.1
PSA (Ų)
0.29
QED
1
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 C21H24O10
MW 436.41
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 1.67

Literature References

PubMed DOI Target Context # Activities
19097778 10.1016/j.bmcl.2008.11.112 Solute carrier family 28 member 3 1
30205261 10.1016/j.ejmech.2018.09.009 Staphylococcus aureus 1
30205261 10.1016/j.ejmech.2018.09.009 Escherichia coli 1
30205261 10.1016/j.ejmech.2018.09.009 No relevant target 1
32721784 10.1016/j.ejmech.2020.112607 No relevant target 1

Data from ChEMBL 36 via Core Engine