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Compound Detail

CHEMBL109609

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Cc1cc(O)c2c(c1)C(=O)c1cccc(O[C@@H]3O[C@H](COC(=O)c4cc(O)c(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL109609
Phase Preclinical
Structure Type MOL
InChI Key KBGOIDOUXFNKHS-DPALUKPESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

568.5
MW (Da)
0.64
ALogP
13
HBA
7
HBD
220.5
PSA (Ų)
0.13
QED
3
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 C28H24O13
MW 568.49
Aromatic Rings 3
Heavy Atoms 41
NP-Likeness 1.50

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