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Compound Detail

CHEMBL232457

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O=S(=O)(O)C1NC[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL232457
Phase Preclinical
Structure Type MOL
InChI Key JQOLKMFBRBFUIO-URORKIPUSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

183.2
MW (Da)
-2.47
ALogP
5
HBA
4
HBD
106.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H9NO5S
MW 183.19
Aromatic Rings 0
Heavy Atoms 11
NP-Likeness 1.30

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
17434740 10.1016/j.bmc.2007.03.073 Unchecked 4
17434740 10.1016/j.bmc.2007.03.073 Glucoamylase, intracellular sporulation-specific 1

Data from ChEMBL 36 via Core Engine