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Compound Detail

CHEMBL477753

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COc1cc(/C=C/c2ccc(O)cc2)cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL477753
Phase Preclinical
Structure Type MOL
InChI Key XKRQDCRMDCIEEB-MQKVEOCDSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

550.6
MW (Da)
-0.40
ALogP
12
HBA
7
HBD
187.8
PSA (Ų)
0.21
QED
3
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H34O12
MW 550.56
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness 1.53

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
15730241 10.1021/np040142x Prolyl endopeptidase 1
15730241 10.1021/np040142x Xanthine dehydrogenase/oxidase 1
15730241 10.1021/np040142x Unchecked 1

Data from ChEMBL 36 via Core Engine