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

General Information of Drug (ID: DR0153)
Drug Name
Atomoxetine hydrochloride
Synonyms
Atomoxetine (hydrochloride); Atomoxetine HCL; Atomoxetine hydrochloride; Atomoxetine hydrochloride [USAN]; C17H21NO.HCl; CHEBI:331697; DSSTox_CID_24266; DSSTox_GSID_44266; DSSTox_RID_80136; LY 139603; LY-139603; MFCD06410992; TOMOXETINE HYDROCHLORIDE; UNII-57WVB6I2W0; Atomoxetine; Atomoxetine (USP/INN); Atomoxetine [INN:BAN]; CHEBI:127342; CHEMBL641; Ginseng america; HSDB 7352; PubChem23267; Q-200658; SCHEMBL34268; Tocris-2011; Tomoxetina; Tomoxetina [Spanish]; Tomoxetine; Tomoxetine [INN]; Tomoxetinum; Tomoxetinum [Latin]; UNII-ASW034S0B8; methyl[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]amine; (-)-Tomoxetine; (3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine; (R)-Atomoxetine; (R)-N-methyl-3-(2-methyl phenoxy)benzenepropanamine; (R)-Tomoxetine; 83015-26-3; AC1L1HTI; ASW034S0B8; (-)-N-Methyl-3-phenyl-3-(o-tolyloxy)propylamine hydrochloride; (R)-(-)-Tomoxetine hydrochloride; (R)-N-Methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine hydrochloride; (R)-Tomoxetine hydrochloride; 57WVB6I2W0; 82248-59-7
Indication Attention deficit hyperactivity disorder [ICD11: 6A05] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 291.8 Topological Polar Surface Area 21.3
Heavy Atom Count 20 Rotatable Bond Count 6
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
54840
ChEBI ID
CHEBI:331697
CAS Number
82248-59-7
TTD Drug ID
D04CRN
Formula
C17H22ClNO
Canonical SMILES
CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.Cl
InChI
1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-;/m1./s1
InChIKey
LUCXVPAZUDVVBT-UNTBIKODSA-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
4-hydroxyatomoxetine DM016114
46781724
Unclear - Unclear 1 [3]
Atomoxetine hydrochloride Metabolite M1 DM018044 N. A. Unclear - Unclear 1 [3]
N-desmethylatomoxetine DM015244
184064
Unclear - Unclear 1 [2]
2-carboxyatomoxetine DM018045 N. A. Unclear - Unclear 2 [3]
4-hydroxyatomnoxetine-O-glucuronide DM018051 N. A. Conjugation - Glucuronidation 2 [3]
N-desmethyl-4-hydroxyatomoxetine DM016223
59741750
Unclear - Unclear 2 [3]
2-hydroxymethylatomoxetine -O-glucuronide DM018048 N. A. Unclear - Unclear 3 [3]
Dihydroxyatomoxetine -O-glucuronide DM018049 N. A. Unclear - Unclear 3 [3]
Hydroxy-2-carboxyatomoxetine DM018046 N. A. Unclear - Unclear 3 [3]
N-desmethyl-4-hydroxyatomoxetine-O-glucuronide DM018050 N. A. Conjugation - Glucuronidation 3 [3]
Hydroxy-2-carboxyatomoxetine -O-glucuronide DM018047 N. A. Unclear - Unclear 4 [3]
⏷ Show the Full List of 11  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009862 Atomoxetine hydrochloride Atomoxetine hydrochloride Metabolite M1 Unclear - Unclear Unclear [3]
MR009868 Atomoxetine hydrochloride N-desmethylatomoxetine Unclear - Unclear CYP2C19 [2]
MR009871 Atomoxetine hydrochloride 4-hydroxyatomoxetine Unclear - Unclear CYP2D6 [3]
MR009872 4-hydroxyatomoxetine 4-hydroxyatomnoxetine-O-glucuronide Conjugation - Glucuronidation CYP2D6 [3]
MR009863 Atomoxetine hydrochloride Metabolite M1 2-carboxyatomoxetine Unclear - Unclear Unclear [3]
MR009869 N-desmethylatomoxetine N-desmethyl-4-hydroxyatomoxetine Unclear - Unclear Unclear [3]
MR009864 2-carboxyatomoxetine Hydroxy-2-carboxyatomoxetine Unclear - Unclear Unclear [3]
MR009866 2-carboxyatomoxetine 2-hydroxymethylatomoxetine -O-glucuronide Unclear - Unclear Unclear [3]
MR009867 2-carboxyatomoxetine Dihydroxyatomoxetine -O-glucuronide Unclear - Unclear Unclear [3]
MR009870 N-desmethyl-4-hydroxyatomoxetine N-desmethyl-4-hydroxyatomoxetine-O-glucuronide Conjugation - Glucuronidation Unclear [3]
MR009865 Hydroxy-2-carboxyatomoxetine Hydroxy-2-carboxyatomoxetine -O-glucuronide Unclear - Unclear Unclear [3]
⏷ Show the Full List of 11 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[2]
References
1 Atomoxetine Hydrochloride was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Atomoxetine: a review of its pharmacokinetics and pharmacogenomics relative to drug disposition. J Child Adolesc Psychopharmacol. 2016 May;26(4):314-26.
3 Disposition and metabolic fate of atomoxetine hydrochloride: the role of CYP2D6 in human disposition and metabolism

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