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Compound Detail

CHEMBL4172376

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COc1cc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(OC)c3c2=O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4172376
Phase Preclinical
Structure Type MOL
InChI Key GABGRWYLASIHKG-LDBVRRDLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

476.4
MW (Da)
0.36
ALogP
11
HBA
5
HBD
168.3
PSA (Ų)
0.33
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 C23H24O11
MW 476.43
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 1.77

Literature References

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

Data from ChEMBL 36 via Core Engine