Structure

InChI Key LXBIFEVIBLOUGU-DPYQTVNSSA-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

Action Mechanism of Action Reference
STABILISER Alpha-galactosidase A stabiliser Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 13-70 - 12500 89
Enzyme
- 13-70 - 12500 89

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Fabry Disease 3 D000795 ClinicalTrials

Related Entries

MCS

Salt

Cross References

Resources Reference
CAS NUMBER 108147-54-2
ChEBI 135923
ChEMBL CHEMBL110458
DrugBank DB05018
DrugCentral 5110
FDA SRS C4XNY919FW
Guide to Pharmacology 10200
PDB DGJ
PubChem 176077
SureChEMBL SCHEMBL1479364
ZINC ZINC000001636704