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Compound Detail

CHEMBL113339

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COc1cc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL113339
Phase Preclinical
Structure Type MOL
InChI Key KLPUXMNQDCUPNO-DXKBKAGUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
0.46
ALogP
9
HBA
6
HBD
149.1
PSA (Ų)
0.37
QED
1
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 C21H24O9
MW 420.41
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 1.77

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