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Compound Detail

CHEMBL4170728

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O=c1c(-c2ccc(O)cc2)coc2cc(O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4170728
Phase Preclinical
Structure Type MOL
InChI Key WICWESGXHNTWOS-VKMHTILFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

756.7
MW (Da)
-4.30
ALogP
20
HBA
12
HBD
328.4
PSA (Ų)
0.09
QED
3
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C33H40O20
MW 756.66
Aromatic Rings 3
Heavy Atoms 53
NP-Likeness 1.33

Literature References

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

Data from ChEMBL 36 via Core Engine