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Compound Detail

CHEMBL109802

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OC[C@H]1O[C@@H](Oc2cc(/C=C/c3cc(O)cc(O)c3)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL109802
Phase Preclinical
Structure Type MOL
InChI Key UMGCIIXWEFTPOC-CUYWLFDKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
0.15
ALogP
9
HBA
7
HBD
160.1
PSA (Ų)
0.34
QED
1
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 C20H22O9
MW 406.39
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.85

Literature References

PubMed DOI Target Context # Activities
10714491 10.1016/s0960-894x(99)00702-7 Mus musculus 2

Data from ChEMBL 36 via Core Engine