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Compound Detail

CHEMBL488839

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Cc1ccc(Oc2cccc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1

Basic Information

ChEMBL ID CHEMBL488839
Phase Preclinical
Structure Type MOL
InChI Key DFTBZKANYGHGRH-FQBWVUSXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
1.30
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22O6
MW 346.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.85

Activity Summary

EC50 1 meas. best 6.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/glucose cotransporter 2
CHEMBL3884
EC50 6.27 6.27 540.0 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
18707880 10.1016/j.bmcl.2008.07.109 Unchecked 1

Data from ChEMBL 36 via Core Engine