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Compound Detail

CHEMBL3088129

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

Basic Information

ChEMBL ID CHEMBL3088129
Phase Preclinical
Structure Type MOL
InChI Key MDAPOPYYLXOSPU-GHAAFOEMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
2.37
ALogP
6
HBA
3
HBD
105.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H18O7
MW 358.35
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 1.62

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