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Compound Detail

CHEMBL3961616

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COc1cc([C@H]2Oc3cc(O)ccc3C(=O)[C@@H]2O)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3961616
Phase Preclinical
Structure Type MOL
InChI Key JDEBLAIUKXAQFI-DLBZAZTESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.3
MW (Da)
1.79
ALogP
7
HBA
3
HBD
105.5
PSA (Ų)
0.79
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 C17H16O7
MW 332.31
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.75

Literature References

PubMed DOI Target Context # Activities
27955927 10.1016/j.bmc.2016.11.055 RAW264.7 1

Data from ChEMBL 36 via Core Engine