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Compound Detail

CHEMBL1684164

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O=S(=O)([O-])OC[C@@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1684164
Phase Preclinical
Structure Type MOL
InChI Key WBUXSJSEIMPRAS-JKPORLPCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

304.3
MW (Da)
-3.46
ALogP
8
HBA
4
HBD
147.3
PSA (Ų)
0.22
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 C8H16O8S2
MW 304.34
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.81

Literature References

PubMed DOI Target Context # Activities
21345683 10.1016/j.bmc.2011.01.052 Sucrase-isomaltase, intestinal 4
21345683 10.1016/j.bmc.2011.01.052 Acidic alpha-glucosidase 2

Data from ChEMBL 36 via Core Engine