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Compound Detail

CHEMBL1808385

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COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1808385
Phase Preclinical
Structure Type MOL
InChI Key ZNZLHKMRPIURHE-SJSRKZJXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

444.9
MW (Da)
2.61
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.48
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 C24H25ClO6
MW 444.91
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.78

Literature References

PubMed DOI Target Context # Activities
21737266 10.1016/j.bmcl.2011.06.032 Sodium/glucose cotransporter 2 1
21737266 10.1016/j.bmcl.2011.06.032 Sodium/glucose cotransporter 1 1
21737266 10.1016/j.bmcl.2011.06.032 Unchecked 1

Data from ChEMBL 36 via Core Engine