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Compound Detail

CHEMBL504233

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O=c1c(O)c(-c2ccc(O)cc2)oc2c(OC3OC[C@@H](O)[C@H](O)[C@H]3O)c(O)c(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL504233
Phase Preclinical
Structure Type MOL
InChI Key GNEFZZUSUHJHGA-PLHTTXJUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

612.5
MW (Da)
-2.72
ALogP
17
HBA
11
HBD
289.7
PSA (Ų)
0.13
QED
3
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28O17
MW 612.49
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness 1.93

Literature References

PubMed DOI Target Context # Activities
9461655 10.1021/np970237h Xanthine dehydrogenase/oxidase 1
9461655 10.1021/np970237h NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine