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

General Information of Drug (ID: DR5304)
Drug Name
Trientine
Synonyms
Trientine HCl; 21121-06-2; triethylenetetramine HCl; SMR000058543; AC1NUQ0M; MLS000069683; SCHEMBL205201; CHEMBL1200783; CTK0I9735; DTXSID80419994; XPVOJYDIBHYVFL-UHFFFAOYSA-N; Pharmakon1600-01505675; NSC759164; NSC158271; AKOS027276425; NSC-158271; NSC-759164; 1, N,N'-bis(2-aminoethyl)-, tetrahydrochloride; 1,2-Ethanediamine, N,N'-bis(2-aminoethyl)-, hydrochloride; N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine hydrochloride
Indication Inborn error of metabolism [ICD11: 5C50-5C59] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 146.23 Topological Polar Surface Area 76.1
Heavy Atom Count 10 Rotatable Bond Count 7
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
5565
ChEBI ID
CHEBI:39501
CAS Number
112-24-3
TTD Drug ID
D09VAZ
Formula
C6H18N4
Canonical SMILES
C(CNCCNCCN)N
InChI
InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2
InChIKey
VILCJCGEZXAXTO-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
N1-acetyltriethylenetetramine(MAT) DM019927 N. A. Conjugation - Acetylation 1 [2] , [3]
Nicotinic acid DM003548
938
Conjugation - Acetylation 1 [2] , [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR012774 Trientine N1-acetyltriethylenetetramine(MAT) Conjugation - Acetylation SAT1 [2], [3]
MR012775 Trientine NA Conjugation - Acetylation SAT1 [2], [3]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Triethylenetetramine pharmacology and its clinical applications
3 Comparison of the Pharmacokinetic Profiles of Trientine Tetrahydrochloride and Trientine Dihydrochloride in Healthy Subjects

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