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Compound Detail

CHEMBL503951

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O=C1c2c(O)cc(O)cc2OC(c2ccc(O)cc2)C1c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL503951
Phase Preclinical
Structure Type MOL
InChI Key XUDCXSSDAZIAPT-YWYCBELZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

718.6
MW (Da)
1.97
ALogP
16
HBA
10
HBD
277.3
PSA (Ų)
0.11
QED
3
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 C36H30O16
MW 718.62
Aromatic Rings 5
Heavy Atoms 52
NP-Likeness 2.01

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15787435 10.1021/np0497595 Radical scavenging activity 1
15787435 10.1021/np0497595 SW480 1

Data from ChEMBL 36 via Core Engine