Structure

InChI Key LXBIFEVIBLOUGU-JGWLITMVSA-N
Smile OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13NO4
Molecular Weight 163.17
AlogP -2.97
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 1.0
Polar Surface Area 92.95
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 11.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 130-25000 - 14-23000 100
Enzyme
- 160-650 - 14-23000 100
Unclassified protein
- 39500 - - -

Indications

Mesh Heading Maximum Phase Reference
Glycogen Storage Disease Type II Phase 2 ClinicalTrials
Glycogen Storage Disease Type II Phase 2 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 19130-96-2
ChEBI 44369
ChEMBL CHEMBL307429
DrugBank DB03206
EPA CompTox DTXSID70172647
FDA SRS FZ56898FLE
Guide to Pharmacology 4642
KEGG C16843
PDB NOJ
PubChem 29435
SureChEMBL SCHEMBL2969
ZINC ZINC000003794714