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

General Information of Drug (ID: DR2112)
Drug Name
NAG 1-phosphate
Synonyms
N-Acetyl-glucosamine 1-phosphate; N-Acetylglucosamine 1-phosphate; N-Acetylglucosamine-1-phosphate; SCHEMBL5679031; delta-glucosamine 1-phosphate; 2-acetamido-2-deoxy-1-O-phosphono-D-glucopyranose; 2-acetamido-2-deoxy-D-glucopyranose 1-phosphate; 6866-69-9; AC1L990N; C04256; CHEBI:7125; CTK2F5371; DTXSID90988348; N-Acetyl-D-glucosamine 1-phosphate; N-acetyl-alpha-delta-glucosamine 1-phosphate; N-acetyl-delta-glucosamine 1-phosphate; N-ACETYL-D-GLUCOSAMINE-1-P; bmse000163
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 301.19 Topological Polar Surface Area 166
Heavy Atom Count 19 Rotatable Bond Count 4
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
440272
ChEBI ID
CHEBI:7125
CAS Number
6866-69-9
Formula
C8H16NO9P
Canonical SMILES
CC(=O)NC1C(C(C(OC1OP(=O)(O)O)CO)O)O
InChI
1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8?/m1/s1
InChIKey
FZLJPEPAYPUMMR-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
NAG 1-phosphate Metabolite A8 DM003934 N. A. Other reaction - Uridylation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR004298 NAG 1-phosphate NAG 1-phosphate Metabolite A8 Other reaction - Uridylation Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-N-acetylhexosamine pyrophosphorylase (AGX) DME0537 Homo sapiens
UAP1_HUMAN
2.7.7.83
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
UDP-N-acetylhexosamine pyrophosphorylase (AGX) DME0537 Km = 0.0053 microM
UAP1_HUMAN
[2]
References
1 A genome-wide CRISPR screen identifies N-acetylglucosamine-1-phosphate transferase as a potential antiviral target for Ebola virus. Nat Commun. 2019 Jan 17;10(1):285.
2 Crystal structures of two human pyrophosphorylase isoforms in complexes with UDPGlc(Gal)NAc: role of the alternatively spliced insert in the enzyme oligomeric assembly and active site architecture. EMBO J. 2001 Nov 15;20(22):6191-202.
3 Dissection of the bifunctional Escherichia coli N-acetylglucosamine-1-phosphate uridyltransferase enzyme into autonomously functional domains and evidence that trimerization is absolutely required for glucosamine-1-phosphate acetyltransferase activity and cell growth

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