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

General Information of Drug (ID: DR1930)
Drug Name
FT-0661285
Synonyms
D-GlcNAc; GlcNAc; N-Acetyl-D-Glucosamine; N-acetyl-D-glucosamine; N-Acetyl-D-glucosamine-Agarose; N-Acetyl-Glucosamine; N-Acetylchitosamine; OVRNDRQMDRJTHS-RTRLPJTCSA-N; 2-Acetamido-2-Deoxy-D-Glucopyranose; 2-Acetamido-2-Deoxy-D-Glucose; 2-Acetamido-2-Deoxy-Glucopyranose; 2-Acetamido-2-Deoxy-Glucopyranoside; 2-Acetamido-2-Deoxy-Glucose; 2-Deoxy-2-Acetamido-D-Glucose; 2-Deoxy-2-Acetamido-Glucopyranose; 2-Deoxy-2-Acetamido-Glucose; CHEBI:506227; N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Indication Irritable bowel syndrome [ICD11: DD91] 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
439174
PubChem SID
3440 ; 3140764 ; 10298230 ; 11533139 ; 14749116 ; 14773579 ; 24890642 ; 26701755 ; 34746915 ; 36883433 ; 49754856 ; 53790128 ; 56320705 ; 56322637 ; 56475046 ; 57402888 ; 78904968 ; 81059563 ; 81059603 ; 81060201 ; 81060576 ; 81061195 ; 81063201 ; 81063230 ; 81064621 ; 83120340 ; 85695113 ; 87561789 ; 96100315 ; 103910763 ; 104619820 ; 124799573 ; 128868544 ; 134338149 ; 135373470 ; 136161975 ; 139264390 ; 139272492 ; 144204897 ; 152054145 ; 152187909 ; 160677138 ; 160963490 ; 162025026 ; 162226631 ; 163072598 ; 163814101 ; 164187219 ; 175442678 ; 180101034
ChEBI ID
ChEBI:17411
CAS Number
7512-17-6
TTD Drug ID
D05ZYM
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-RTRLPJTCSA-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
GlcNAc-6-P DM004175
898
Other reaction - Catabolism 1 [3]
N-acetyl-d-mannosamine DM004177
439281
Other reaction - Epimerization 1 [2]
UDP-GlcNAc DM004176
445675
Unclear 2 [3]
UDP-N-acetylglucosamine DM004176 N. A. Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004577 FT-0661285 GlcNAc-6-P Other reaction - Catabolism Unclear [3]
MR004579 FT-0661285 N-acetyl-d-mannosamine Other reaction - Epimerization RENBP [2]
MR004578 GlcNAc-6-P UDP-GlcNAc Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
N-acetyl-D-glucosamine 2-epimerase (AGE) DME0576 Homo sapiens
RENBP_HUMAN
5.1.3.8
[2]
References
1 ClinicalTrials.gov (NCT02504060) Clinical Trials of N-acetyl Glucosamine Capsule for IBS-D Treatment.
2 Production of N-acetyl-d-neuraminic acid by whole cells expressing Bacteroides thetaiotaomicron N-acetyl-d-glucosamine 2-epimerase and Escherichia coli N-acetyl-d-neuraminic acid aldolase. J Agric Food Chem. 2019 Jun 5;67(22):6285-6291.
3 Magnaporthe oryzae aminosugar metabolism is essential for successful host colonization

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