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Compound Detail

CHEMBL517096

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COc1ccc([C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL517096
Phase Preclinical
Structure Type MOL
InChI Key BZPIKZWNIVAFRW-JKUDBEEXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

520.5
MW (Da)
0.66
ALogP
11
HBA
5
HBD
156.5
PSA (Ų)
0.35
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H32O11
MW 520.53
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness 1.62

Literature References

PubMed DOI Target Context # Activities
11473435 10.1021/np0101189 H9 1
11473435 10.1021/np0101189 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine