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

General Information of Drug (ID: DR1400)
Drug Name
Reboxetine
Synonyms
Reboxetine; Reboxetine (INN); Reboxetine [INN:BAN]; Edronax (TN); Norebox; Vestra; ZINC3996032; (2r)-2-[(R)-(2-Ethoxyphenoxy)(Phenyl)methyl]morpholine; (R,R)-Reboxetine; 71620-89-8; 98769-81-4; AC1L2RJ0; AJ-47614; AK431803; AKOS015966368; AN-34535; BCP12060; CHEBI:135342; CHEMBL383921; DB00234; DTXSID1048257; FT-0699742; HSDB 7701; Morpholine, 2-((R)-(2-ethoxyphenoxy)phenylmethyl)-, (2R)-rel-; Morpholine, 2-[(2-ethoxyphenoxy)phenylmethyl]-, (R*,R*)-; Morpholine, 2-[(R)-(2-ethoxyphenoxy)phenylmethyl]-, (2R)-rel-; SCHEMBL34533
Indication Depression [ICD11: 6A71] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 313.4 Topological Polar Surface Area 39.7
Heavy Atom Count 23 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
127151
PubChem SID
8189987 ; 11114256 ; 14776713 ; 14801082 ; 24723456 ; 43122598 ; 46504845 ; 50065436 ; 50168465 ; 57315782 ; 85177295 ; 85753305 ; 96026020 ; 104046804 ; 104334847 ; 126650576 ; 126683279 ; 134338008 ; 135253190 ; 135785545 ; 137001349 ; 142214143 ; 160698609 ; 160963582 ; 163213628 ; 177749680 ; 178101510 ; 179338235 ; 198950509 ; 198973023 ; 223519262 ; 223686602 ; 226420981 ; 241124852 ; 241169861 ; 246640544
ChEBI ID
CHEBI:135342
CAS Number
71620-89-8
TTD Drug ID
D0N8FQ
Formula
C19H23NO3
Canonical SMILES
CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3
InChI
1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m1/s1
InChIKey
CBQGYUDMJHNJBX-RTBURBONSA-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
Reboxetine metabolite A DM004841
76974442
Oxidation - Hydrolyzationn 1 [3] , [2]
Reboxetine metabolite B DM004843
76974553
Oxidation - Hydrolyzationn 1 [3] , [2]
Reboxetine metabolite C DM004845
10469169
Oxidation - O-dealkylation 1 [3] , [2]
Reboxetine metabolite D DM004847
13479312
Oxidation - Oxidationn 1 [3] , [2]
Reboxetine metabolite E DM004848
85636389
Oxidation - Oxidationn 1 [3] , [2]
Reboxetine metabolite I DM004849
23458385
Unclear 1 [3] , [2]
Reboxetine metabolite L DM004850 N. A. Unclear 1 [3] , [2]
Reboxetine metabolite M DM004851 N. A. Unclear 1 [3] , [2]
Reboxetine metabolite N DM004852
85636418
Unclear 1 [3] , [2]
Reboxetine metabolite O DM004853 N. A. Unclear 1 [3] , [2]
Reboxetine metabolite F DM004842 N. A. Oxidation - Oxidationn 2 [3] , [2]
Reboxetine metabolite G DM004844 N. A. Oxidation - Oxidationn 2 [3] , [2]
Reboxetine metabolite H DM004846
72236144
Oxidation - Oxidationn 2 [3] , [2]
⏷ Show the Full List of 13  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005214 Reboxetine Reboxetine metabolite A Oxidation - Hydrolyzationn CYP3A4 [3], [2]
MR005216 Reboxetine Reboxetine metabolite B Oxidation - Hydrolyzationn CYP3A4 [3], [2]
MR005218 Reboxetine Reboxetine metabolite C Oxidation - O-dealkylation CYP3A4 [3], [2]
MR005220 Reboxetine Reboxetine metabolite D Oxidation - Oxidationn CYP3A4 [3], [2]
MR005221 Reboxetine Reboxetine metabolite E Oxidation - Oxidationn CYP3A4 [3], [2]
MR005222 Reboxetine Reboxetine metabolite I Unclear CYP3A4 [3], [2]
MR005223 Reboxetine Reboxetine metabolite L Unclear CYP3A4 [3], [2]
MR005224 Reboxetine Reboxetine metabolite M Unclear CYP3A4 [3], [2]
MR005225 Reboxetine Reboxetine metabolite N Unclear CYP3A4 [3], [2]
MR005226 Reboxetine Reboxetine metabolite O Unclear CYP3A4 [3], [2]
MR005215 Reboxetine metabolite A Reboxetine metabolite F Oxidation - Oxidationn Unclear [3], [2]
MR005217 Reboxetine metabolite B Reboxetine metabolite G Oxidation - Oxidationn Unclear [3], [2]
MR005219 Reboxetine metabolite C Reboxetine metabolite H Oxidation - Oxidationn Unclear [3], [2]
⏷ Show the Full List of 13 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 ClinicalTrials.gov (NCT00426946) Reboxetine Treatment in Depressed Children and Adolescents an 8-Week, Open Study.
2 Clinical pharmacokinetics of reboxetine, a selective norepinephrine reuptake inhibitor for the treatment of patients with depression. Clin Pharmacokinet. 2000 Dec;39(6):413-27.
3 Comparison of the disposition and of the metabolic pattern of Reboxetine, a new antidepressant, in the rat, dog, monkey and man

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