KEGG   DRUG: D08511Help
Entry
D08511                      Drug                                   

Name
Setiptiline (INN)
Formula
C19H19N
Exact mass
261.1518
Mol weight
261.3609
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antidepressant
Remark
Drug group: 
Comment
tetracyclic antidepressants
Target
alpha2-adrenergic receptor antagonist [HSA:150 151 152] [KO:K04138 K04139 K04140];
alpha1-adrenergic receptor antagonist [HSA:146 147 148] [KO:K04137 K04136 K04135];
5-HT2-receptor antagonist [HSA:3356 3357 3358] [KO:K04157]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
hsa04540  Gap junction
hsa04970  Salivary secretion  
 
Interaction
Drug interaction
Structure map
Antidepressants
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Setiptiline
      D08511  Setiptiline (INN)
    alpha2-adrenergic receptor
     Setiptiline
      D08511  Setiptiline (INN)
   Serotonin
    5-HT2-receptor
     Setiptiline
      D08511  Setiptiline (INN)
BRITE hierarchy
Other DBs
CAS: 
57262-94-9
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

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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