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Compound Detail

CHEMBL1272197

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COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1272197
Phase Preclinical
Structure Type MOL
InChI Key JSUJHPSAVAWXEN-GSVZXUNASA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

462.4
MW (Da)
0.06
ALogP
11
HBA
6
HBD
179.3
PSA (Ų)
0.30
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H22O11
MW 462.41
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 1.83

Activity Summary

EC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
20932762 10.1016/j.bmcl.2010.09.086 NON-PROTEIN TARGET 2
20932762 10.1016/j.bmcl.2010.09.086 Radical scavenging activity 1
20932762 10.1016/j.bmcl.2010.09.086 H9c2 1

Data from ChEMBL 36 via Core Engine