AFEGOSTAT TARTRATE

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Synonyms
Status
Molecule Category Salt-form
UNII 285ZJJ9773

Structure

InChI Key ULBPPCHRAVUQMC-RWOHWRPJSA-N
Smiles O=C(O)C(O)C(O)C(=O)O.OC[C@H]1CNC[C@@H](O)[C@@H]1O
InChI
InChI=1S/C6H13NO3.C4H6O6/c8-3-4-1-7-2-5(9)6(4)10;5-1(3(7)8)2(6)4(9)10/h4-10H,1-3H2;1-2,5-6H,(H,7,8)(H,9,10)/t4-,5-,6-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H19NO9
Molecular Weight 297.26
AlogP -2.08
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 72.72
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 10.0

Pharmacology

Mechanism of Action Action Reference
Beta-glucocerebrosidase stabiliser STABILISER PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- 19-30 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 30 - - -

Target Conservation

Protein: Beta-glucocerebrosidase
Description: Lysosomal acid glucosylceramidase
Organism : Homo sapiens
P04062 ENSG00000177628

Cross References

Resources Reference
ChEMBL CHEMBL2105671
FDA SRS 285ZJJ9773
PubChem 23581846
SureChEMBL SCHEMBL20641234
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