KEGG   DRUG: Atomoxetine
Entry
D07473                      Drug                                   
Name
Atomoxetine (USP/INN);
Tomoxetine
Formula
C17H21NO
Exact mass
255.1623
Mol weight
255.3547
Structure
Simcomp
Class
Neuropsychiatric agent
 DG03085  Selective norepinephrine reuptake inhibitor (NRI)
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
ATC code: N06BA09
Chemical structure group: DG00970
Product (DG00970): D02574<JP/US>
Efficacy
Stimulant (central), Selective noradrenaline reuptake inhibitor (NRI)
Comment
Fluoxetine derivative
Target
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
  Pathway
hsa04721  Synaptic vesicle cycle
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Structure map
map07234  Neurotransmitter transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06B PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
    N06BA Centrally acting sympathomimetics
     N06BA09 Atomoxetine
      D07473  Atomoxetine (USP/INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03085  Selective norepinephrine reuptake inhibitor (NRI)
   DG00970  Atomoxetine
    D07473  Atomoxetine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00970  Atomoxetine
    D07473  Atomoxetine
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D07473  Atomoxetine (USP/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07473
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03085  Selective norepinephrine reuptake inhibitor (NRI)
   DG00970  Atomoxetine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00970  Atomoxetine
Other DBs
CAS: 83015-26-3
PubChem: 51091800
ChEBI: 127342
LigandBox: D07473
NIKKAJI: J525.770K
LinkDB
KCF data

ATOM        19
            1   C8x C    19.3200  -16.8700
            2   C8x C    19.3200  -18.2700
            3   C8x C    20.5100  -18.9700
            4   C8x C    21.7700  -18.2700
            5   C8y C    21.7700  -16.8700
            6   C8y C    20.5100  -16.1700
            7   C1a C    20.5100  -14.7700
            8   O2a O    22.9600  -16.1700
            9   C1c C    24.2200  -16.8700
            10  C1b C    25.4100  -16.1700
            11  C1b C    26.6000  -16.8700
            12  N1b N    27.8600  -16.1700
            13  C1a C    29.0500  -16.8700
            14  C8y C    24.2200  -18.2700
            15  C8x C    23.0300  -18.9700
            16  C8x C    23.0300  -20.3700
            17  C8x C    24.2200  -21.0700
            18  C8x C    25.4100  -20.3700
            19  C8x C    25.4100  -18.9700
BOND        20
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    9  14 1 #Down
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   14  19 1

» Japanese version   » Back

KEGG   DRUG: Atomoxetine hydrochloride
Entry
D02574                      Drug                                   
Name
Atomoxetine hydrochloride (JAN/USP);
Tomoxetine hydrochloride;
Strattera (TN)
Product
  Generic
Formula
C17H21NO. HCl
Exact mass
291.139
Mol weight
291.8157
Structure
Simcomp
Class
Neuropsychiatric agent
 DG03085  Selective norepinephrine reuptake inhibitor (NRI)
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
Therapeutic category: 1179
ATC code: N06BA09
Chemical structure group: DG00970
Product (DG00970): D02574<JP/US>
Efficacy
Stimulant (central), Selective noradrenaline reuptake inhibitor (NRI)
  Disease
Attention-deficit/hyperactivity disorder [DS:H01895]
Comment
Fluoxetine derivative
Treatment of attention deficit hyperactivity disorder (ADHD)
Target
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
  Pathway
hsa04721  Synaptic vesicle cycle
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Structure map
map07234  Neurotransmitter transporter inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06B PSYCHOSTIMULANTS, AGENTS USED FOR ADHD AND NOOTROPICS
    N06BA Centrally acting sympathomimetics
     N06BA09 Atomoxetine
      D02574  Atomoxetine hydrochloride (JAN/USP) <JP/US>
USP drug classification [BR:br08302]
 Central Nervous System Agents
  Attention Deficit Hyperactivity Disorder Agents, Non-amphetamines
   Atomoxetine
    D02574  Atomoxetine hydrochloride (JAN/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   117  Psychotropics
    1179  Others
     D02574  Atomoxetine hydrochloride (JAN/USP)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03085  Selective norepinephrine reuptake inhibitor (NRI)
   DG00970  Atomoxetine
    D02574  Atomoxetine hydrochloride
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00970  Atomoxetine
    D02574  Atomoxetine hydrochloride
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D02574  Atomoxetine hydrochloride (JAN/USP) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D02574
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D02574
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D02574
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02574
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D02574
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03085  Selective norepinephrine reuptake inhibitor (NRI)
   DG00970  Atomoxetine
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00970  Atomoxetine
Other DBs
CAS: 82248-59-7
PubChem: 17396745
ChEBI: 331697
LigandBox: D02574
NIKKAJI: J1.925.444E
LinkDB
KCF data

ATOM        20
            1   C8x C    11.5500  -14.3500
            2   C8x C    11.5500  -15.7500
            3   C8x C    12.7624  -16.4500
            4   C8x C    13.9749  -15.7500
            5   C8y C    13.9749  -14.3500
            6   C8y C    12.7624  -13.6500
            7   C1a C    12.7624  -12.2502
            8   O2a O    15.2124  -13.6500
            9   C1c C    16.4249  -14.3500
            10  C1b C    17.6373  -13.6500
            11  C1b C    18.8497  -14.3500
            12  N1b N    20.0622  -13.6500
            13  C1a C    21.2746  -14.3500
            14  C8y C    16.4249  -15.7498
            15  C8x C    15.2313  -16.4391
            16  C8x C    15.2315  -17.8391
            17  C8x C    16.4441  -18.5389
            18  C8x C    17.6376  -17.8496
            19  C8x C    17.6374  -16.4496
            20  X   Cl   26.6700  -14.4200
BOND        20
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     5   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    9  14 1 #Down
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   14  19 1

» Japanese version   » Back

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