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Compound Detail

CHEMBL2036484

FLACOURTOSIDE B
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O=Cc1cc(O)ccc1O[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL2036484
Name FLACOURTOSIDE B
Phase Preclinical
Structure Type MOL
InChI Key SSJSZNSQHPLDCR-BFMVXSJESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
0.25
ALogP
9
HBA
4
HBD
142.8
PSA (Ų)
0.39
QED
0
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 C20H20O9
MW 404.37
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.38

Activity Summary

IC50 1 meas. best 4.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.15 4.15 71100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 71100.0 nM 4.15 Inhibition of Dengue virus NS5 polymerase assessed as inhibition of radiolabeled... 22439591

Literature References

PubMed DOI Target Context # Activities
22439591 10.1021/np300059n Unchecked 1
22439591 10.1021/np300059n NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine