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

General Information of Drug (ID: DR1312)
Drug Name
Polyethylene glycol 400
Synonyms
Polyethylene glycol 200; Polyethylene glycol 600; Tescol; Ucar 17; ethanediol; ethylene-glycol; ethyleneglycol; glycol; monoethylene glycol; Aethylenglykol; Aethylenglykol [German]; Dowtherm SR 1; ETHYLENE GLYCOL; Ethane-1,2-diol; Ethylene alcohol; Ethylene dihydrate; Ethylenglycol; Fridex; Glycol alcohol; Glycol, ethylene-; Glycols, polyethylene; Lutrol; Lutrol-9; Macrogol; Macrogol 400 BPC; Norkool; polyethylene glycol; 1,2-Dihydroxyethane; 1,2-Ethandiol; 1,2-ethanediol; 107-21-1; 2-hydroxyethanol; Caswell No. 441; MFCD00002885; Zerex
Indication Inflammatory bowel disease [ICD11: DD72] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 62.07 Topological Polar Surface Area 40.5
Heavy Atom Count 4 Rotatable Bond Count 1
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
174
ChEBI ID
CHEBI:46793
CAS Number
107-21-1
TTD Drug ID
D0IV3M
Formula
C2H6O2
Canonical SMILES
C(CO)O
InChI
1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChIKey
LYCAIKOWRPUZTN-UHFFFAOYSA-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
Oxalic acid DM001760
971
Oxidation - Oxidationn 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005180 Polyethylene glycol 400 Oxalic acid Oxidation - Oxidationn ADH5 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Alcohol dehydrogenase class-III (ADH5) DME0132 Homo sapiens
ADHX_HUMAN
1.1.1.1
[2]
References
1 ClinicalTrials.gov (NCT02073552) Colon Cleansing Quality of Polyethylene Glycol Compared With Polyethylene Glycol Plus Ascorbic Acid..
2 PEGylated proteins: evaluation of their safety in the absence of definitive metabolism studies. Drug Metab Dispos. 2007 Jan;35(1):9-16.

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