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Compound Detail

CHEMBL1819484

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OC[C@H]1C[C@@H](Oc2ccccc2Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL1819484
Phase Preclinical
Structure Type MOL
InChI Key DWXDHZYEUYQCQK-XLSIIYIISA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
1.12
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 1.24

Activity Summary

IC50 2 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium/glucose cotransporter 2
CHEMBL3884
IC50 6.16 6.16 690.0 1
Sodium/glucose cotransporter 1
CHEMBL4979
IC50 4.89 4.89 13000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21873071 10.1016/j.bmc.2011.08.005 Sodium/glucose cotransporter 2 1
21873071 10.1016/j.bmc.2011.08.005 Sodium/glucose cotransporter 1 1
21873071 10.1016/j.bmc.2011.08.005 Unchecked 1

Data from ChEMBL 36 via Core Engine