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Compound Detail

CHEMBL3088131

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O=Cc1ccc2c(c1)O[C@H](CO)[C@@H](c1ccc(O)c(O)c1)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3088131
Phase Preclinical
Structure Type MOL
InChI Key ADXKEQTTZIGXQP-HZPDHXFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
1.78
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H14O6
MW 302.28
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.81

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