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Compound Detail

CHEMBL455827

ARENARIOSIDE
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C[C@@H]1OC(O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL455827
Name ARENARIOSIDE
Phase Preclinical
Structure Type MOL
InChI Key XPLMUADTACCMDJ-QCKTWRAWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

756.7
MW (Da)
-2.55
ALogP
19
HBA
11
HBD
304.2
PSA (Ų)
0.06
QED
3
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C34H44O19
MW 756.71
Aromatic Rings 2
Heavy Atoms 53
NP-Likeness 1.74

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16038536 10.1021/np049655u Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine