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Compound Detail

CHEMBL4162791

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O=c1c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2O)coc2cc(O)cc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4162791
Phase Preclinical
Structure Type MOL
InChI Key DXPDVKIQWQRRGG-CMWLGVBASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.4
MW (Da)
-0.24
ALogP
11
HBA
7
HBD
190.3
PSA (Ų)
0.28
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H20O11
MW 448.38
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 1.99

Literature References

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

Data from ChEMBL 36 via Core Engine