Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2407)
Drug Name
AS-12141
Synonyms
D-GalNAc; GalNAc; N-Acetyl-D-Galactosamine; N-acetyl-galactosamine; N-Acetyl-Galactosamine; 14215-68-0; 2-Acetamido-2-Deoxy-D-Galactopyranose; 2-Acetamido-2-Deoxy-D-Galactopyranoside; 2-Acetamido-2-Deoxy-D-Galactose; 2-Acetamido-2-Deoxy-Galactopyranose; 2-Acetamido-2-Deoxy-Galactopyranoside; 2-Acetamido-2-Deoxy-Galactose; 2-Deoxy-2-Acetamido-D-Galactopyranose; 2-Deoxy-2-Acetamido-D-Galactopyranoside; 2-Deoxy-2-Acetamido-D-Galactose; 2-Deoxy-2-Acetamido-Galactopyranose; 2-Deoxy-2-Acetamido-Galactopyranoside; 2-Deoxy-2-Acetamido-Galactose
Indication Gaucher disease [ICD11: 5C56] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 221.21 Topological Polar Surface Area 119
Heavy Atom Count 15 Rotatable Bond Count 2
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
35717
ChEBI ID
CHEBI:28037
CAS Number
1136-42-1
Formula
C8H15NO6
Canonical SMILES
CC(=O)NC1C(C(C(OC1O)CO)O)O
InChI
1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8?/m1/s1
InChIKey
OVRNDRQMDRJTHS-KEWYIRBNSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
AG2000 Free Base DM020054
163862
Unclear 1 [2] , [3]
Fludarabine DM020055
657237
Unclear 2 [2] , [3]
UDP-GlcNAc DM004176
445675
Unclear 3 [3]
UDP-N-acetylglucosamine DM004176 N. A. Unclear 3 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004580 AS-12141 N-acetylgalactosamine 1-phosphate Unclear GALK2 [2], [3]
MR004581 N-acetylgalactosamine 1-phosphate UDP-N-acetylgalactosamie Unclear UAP1 [2], [3]
MR004582 UDP-N-acetylgalactosamie UDP-N-acetylglucosamine Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Galactokinase 2 (GALK2) DMEN218 Homo sapiens
GALK2_HUMAN
2.7.1.157
[2] , [3]
Glyceraldehyde-3-phosphate dehydrogenase (gap) DME1052 Lactobacillus acidophilus
A0A3A9YGB0_LACAI
1.2.1.-
[4]
UDP-N-acetylhexosamine pyrophosphorylase (AGX) DME0537 Homo sapiens
UAP1_HUMAN
2.7.7.83
[2] , [3]
References
1 ClinicalTrials.gov (NCT00104234) Study of rhASB in Patients With Mucopolysaccharidosis VI
2 Evaluation of analogues of GalNAc as substrates for enzymes of the mammalian GalNAc salvage pathway
3 The metabolism of d-galactosamine and N-acetyl-d-galactosamine in rat liver
4 Cloning, expression and characterization of a mucin-binding GAPDH from Lactobacillus acidophilus. Int J Biol Macromol. 2016 Oct;91:338-46.

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