Details of the Drug

General Information of Drug (ID: DM2RS0V)

Drug Name
Isofagomine tartrate
Synonyms Plicera; Afegostat tartrate; AT-2101; HGT-3410; Plicera (TN); NN-42-1007
Indication
Disease Entry ICD 11 Status REF
Metabolic disorder 5C50-5D2Z Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 297.26
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 4
Hydrogen Bond Donor Count 8
Hydrogen Bond Acceptor Count 10
Chemical Identifiers
Formula
C10H19NO9
IUPAC Name
(2R,3R)-2,3-dihydroxybutanedioic acid;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
Canonical SMILES
C1[C@@H]([C@H]([C@@H](CN1)O)O)CO.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
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-;1-,2-/m11/s1
InChIKey
ULBPPCHRAVUQMC-MUMXBIPUSA-N
Cross-matching ID
PubChem CID
23581846
CAS Number
919364-56-0
TTD ID
D04BQV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glucosylceramidase (GBA) TT1B5PU GLCM_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7410).
2 Identification of pharmacological chaperones for Gaucher disease and characterization of their effects on beta-glucocerebrosidase by hydrogen/deuterium exchange mass spectrometry. Chembiochem. 2008 Nov 3;9(16):2650-62.