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]
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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

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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.