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Compound Detail

CHEMBL1213802

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CCCc1ccc(Cc2csc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1213802
Phase Preclinical
Structure Type MOL
InChI Key ITZHBZXUNQHQSH-UYTYNIKBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
1.20
ALogP
7
HBA
4
HBD
103.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25NO5S
MW 379.48
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.54

Literature References

PubMed DOI Target Context # Activities
20637636 10.1016/j.bmc.2010.06.076 Sodium/glucose cotransporter 2 1

Data from ChEMBL 36 via Core Engine