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Compound Detail

CHEMBL3088127

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O=C(O)/C=C/c1ccc2c(c1)O[C@@H](CO)[C@H](c1ccc(O)c(O)c1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3088127
Phase Preclinical
Structure Type MOL
InChI Key FFMAMRFQOOHFDW-SOPWNFQTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

344.3
MW (Da)
2.07
ALogP
6
HBA
4
HBD
116.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H16O7
MW 344.32
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.74

Literature References

PubMed DOI Target Context # Activities
24224843 10.1021/np400533h Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine