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Compound Detail

CHEMBL1209028

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

Basic Information

ChEMBL ID CHEMBL1209028
Phase Preclinical
Structure Type MOL
InChI Key ZVTQJNZAVIMCBG-PUXLEAQQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
-3.07
ALogP
8
HBA
4
HBD
147.3
PSA (Ų)
0.22
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H18O8S2
MW 318.37
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 1.78

Literature References

PubMed DOI Target Context # Activities
20598536 10.1016/j.bmcl.2010.06.059 Unchecked 1

Data from ChEMBL 36 via Core Engine