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Compound Detail

CHEMBL1808387

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CC#CCOCCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1808387
Phase Preclinical
Structure Type MOL
InChI Key LYBVLIVIUABQJO-RXFVIIJJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

476.9
MW (Da)
1.86
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29ClO7
MW 476.95
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.63

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