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Compound Detail

CHEMBL403237

CURCULIGOSIDE B
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COc1cccc(O)c1C(=O)OCc1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL403237
Name CURCULIGOSIDE B
Phase Preclinical
Structure Type MOL
InChI Key DIZYHORWVKHYCQ-PEVLUNPASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

452.4
MW (Da)
-0.36
ALogP
11
HBA
6
HBD
175.4
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H24O11
MW 452.41
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 1.28

Activity Summary

EC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.07 5.07 8500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 8500.0 nM 5.07 Inhibition of beta amyloid 25-35 fibril formation 18042380

Literature References

PubMed DOI Target Context # Activities
18042380 10.1016/j.bmcl.2007.11.028 Unchecked 2

Data from ChEMBL 36 via Core Engine