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Compound Detail

CHEMBL4161741

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COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2occ(-c3ccc(O)cc3)c(=O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4161741
Phase Preclinical
Structure Type MOL
InChI Key KSVVGBSBNPMXJF-RECXWPGBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

446.4
MW (Da)
0.35
ALogP
10
HBA
5
HBD
159.1
PSA (Ų)
0.37
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 C22H22O10
MW 446.41
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 1.79

Literature References

PubMed DOI Target Context # Activities
29932657 10.1021/acs.jnatprod.8b00182 RAW264.7 1

Data from ChEMBL 36 via Core Engine