KEGG   DRUG: Setiptiline maleate
Entry
D02034                      Drug                                   
Name
Setiptiline maleate (JAN);
Tecipul (TN)
Formula
C19H19N. C4H4O4
Exact mass
377.1627
Mol weight
377.433
Structure
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01460  alpha2-Adrenergic receptor antagonist
Neuropsychiatric agent
 DG01729  Tetracyclic antidepressant
 DG03077  Noradrenergic and specific serotonergic antidepressant (NaSSA)
Remark
Therapeutic category: 1179
Chemical structure group: DG01231
Product (DG01231): D02034<JP>
Efficacy
Antidepressant, alpha2-Adrenergic receptor antagonist
Target
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07027  Antidepressants
Brite
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
     D02034  Setiptiline maleate (JAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01465  alpha-Adrenergic receptor antagonist
    DG01460  alpha2-Adrenergic receptor antagonist
     DG01231  Setiptiline
      D02034  Setiptiline maleate
 Neuropsychiatric agent
  DG01729  Tetracyclic antidepressant
   DG01231  Setiptiline
    D02034  Setiptiline maleate
  DG03077  Noradrenergic and specific serotonergic antidepressant (NaSSA)
   DG01231  Setiptiline
    D02034  Setiptiline maleate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA2
     D02034  Setiptiline maleate (JAN) <JP>
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01465  alpha-Adrenergic receptor antagonist
    DG01460  alpha2-Adrenergic receptor antagonist
     DG01231  Setiptiline
 Neuropsychiatric agent
  DG01729  Tetracyclic antidepressant
   DG01231  Setiptiline
  DG03077  Noradrenergic and specific serotonergic antidepressant (NaSSA)
   DG01231  Setiptiline
Other DBs
CAS: 85650-57-3
PubChem: 7849096
ChEBI: 176786
LigandBox: D02034
NIKKAJI: J263.325F
LinkDB
KCF data

ATOM        28
            1   C2b C    36.5609  -16.2201
            2   C2b C    38.2962  -16.2201
            3   C6a C    35.8668  -17.4223
            4   O6a O    34.4786  -17.4232
            5   O6a O    36.5617  -18.6250
            6   C6a C    38.9903  -17.4223
            7   O6a O    40.3785  -17.4223
            8   O6a O    38.2958  -18.6253
            9   C2y C    27.9934  -17.6494
            10  C8y C    27.1513  -16.5398
            11  C8y C    27.4865  -15.1830
            12  C1x C    28.7475  -14.6049
            13  C2y C    29.3992  -17.6746
            14  C8y C    30.0011  -15.2272
            15  C8y C    30.2876  -16.5959
            16  C8x C    26.4794  -14.2146
            17  C8x C    25.1374  -14.6027
            18  C8x C    24.8022  -15.9595
            19  C8x C    25.8093  -16.9276
            20  C8x C    31.6188  -17.0330
            21  C8x C    32.6630  -16.0986
            22  C8x C    32.3766  -14.7299
            23  C8x C    31.0452  -14.2928
            24  C1x C    27.2717  -18.8490
            25  N1y N    27.9499  -20.0738
            26  C1x C    29.3557  -20.0991
            27  C1x C    30.0773  -18.8994
            28  C1a C    27.2159  -21.2942
BOND        30
            1     1   2 2
            2     1   3 1
            3     3   4 1
            4     3   5 2
            5     2   6 1
            6     6   7 2
            7     6   8 1
            8    11  12 1
            9     9  13 2
            10   12  14 1
            11   10  11 1
            12   13  15 1
            13    9  10 1
            14   14  15 1
            15   11  16 2
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   10  19 2
            20   15  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   14  23 2
            25    9  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   13  27 1
            30   25  28 1

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KEGG   DRUG: Setiptiline
Entry
D08511                      Drug                                   
Name
Setiptiline (INN)
Formula
C19H19N
Exact mass
261.1518
Mol weight
261.3609
Structure
Simcomp
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01460  alpha2-Adrenergic receptor antagonist
Neuropsychiatric agent
 DG01729  Tetracyclic antidepressant
 DG03077  Noradrenergic and specific serotonergic antidepressant (NaSSA)
Remark
Chemical structure group: DG01231
Product (DG01231): D02034<JP>
Efficacy
Antidepressant, alpha2-Adrenergic receptor antagonist
Target
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Structure map
map07027  Antidepressants
Brite
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01465  alpha-Adrenergic receptor antagonist
    DG01460  alpha2-Adrenergic receptor antagonist
     DG01231  Setiptiline
      D08511  Setiptiline
 Neuropsychiatric agent
  DG01729  Tetracyclic antidepressant
   DG01231  Setiptiline
    D08511  Setiptiline
  DG03077  Noradrenergic and specific serotonergic antidepressant (NaSSA)
   DG01231  Setiptiline
    D08511  Setiptiline
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA2
     D08511  Setiptiline (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01465  alpha-Adrenergic receptor antagonist
    DG01460  alpha2-Adrenergic receptor antagonist
     DG01231  Setiptiline
 Neuropsychiatric agent
  DG01729  Tetracyclic antidepressant
   DG01231  Setiptiline
  DG03077  Noradrenergic and specific serotonergic antidepressant (NaSSA)
   DG01231  Setiptiline
Other DBs
CAS: 57262-94-9
PubChem: 96025196
ChEBI: 135076
LigandBox: D08511
NIKKAJI: J22.942C
LinkDB
KCF data

ATOM        20
            1   C2y C    23.3800  -17.8500
            2   C8y C    22.5400  -16.7300
            3   C8y C    22.8900  -15.4000
            4   C1x C    24.1500  -14.7700
            5   C2y C    24.7800  -17.8500
            6   C8y C    25.4100  -15.4000
            7   C8y C    25.6900  -16.8000
            8   C8x C    21.9100  -14.4200
            9   C8x C    20.5800  -14.7700
            10  C8x C    20.2300  -16.1700
            11  C8x C    21.2100  -17.0800
            12  C8x C    27.0200  -17.2200
            13  C8x C    28.0700  -16.3100
            14  C8x C    27.7900  -14.9100
            15  C8x C    26.4600  -14.4900
            16  C1x C    22.6800  -19.0400
            17  N1y N    23.3800  -20.2300
            18  C1x C    24.7800  -20.2300
            19  C1x C    25.4800  -19.0400
            20  C1a C    22.6100  -21.4200
BOND        23
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    7  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    6  15 2
            18    1  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22    5  19 1
            23   17  20 1

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