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Compound Detail

CHEMBL520894

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OC[C@H]1O[C@@H](c2cccc(CCc3ccccc3)c2)[C@H](O)[C@@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL520894
Phase Preclinical
Structure Type MOL
InChI Key RBJBRHIXKVMRFX-OBKDMQGPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
0.99
ALogP
5
HBA
4
HBD
90.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24O5
MW 344.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.33

Activity Summary

EC50 1 meas. best 6.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/glucose cotransporter 2
CHEMBL3884
EC50 6.15 6.15 710.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18707880 10.1016/j.bmcl.2008.07.109 Sodium/glucose cotransporter 2 1

Data from ChEMBL 36 via Core Engine