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Compound Detail

CHEMBL3088128

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COc1cc([C@H]2Oc3ccc(CCCO)cc3O[C@@H]2CO)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3088128
Phase Preclinical
Structure Type MOL
InChI Key CYLVTAFKOSKXKE-RTBURBONSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
2.20
ALogP
6
HBA
3
HBD
88.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H22O6
MW 346.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.60

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