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Compound Detail

CHEMBL1213803

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OC[C@H]1O[C@@H](c2nc(Br)c(Cc3ccccc3)s2)[C@H](O)[C@@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1213803
Phase Preclinical
Structure Type MOL
InChI Key QVGAMPVQNRVHKU-RGCYKPLRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.3
MW (Da)
1.01
ALogP
7
HBA
4
HBD
103.0
PSA (Ų)
0.59
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 C16H18BrNO5S
MW 416.29
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.65

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