KEGG   DRUG: SetiptilineHelp
Entry
D08511                      Drug                                   

Name
Setiptiline (INN)
Formula
C19H19N
Exact mass
261.1518
Mol weight
261.3609
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01457  alpha1-Adrenergic receptor antagonist
   DG01460  alpha2-Adrenergic receptor antagonist
Neuropsychiatric agent
 DG01729  Tetracyclic antidepressant
 DG01728  Tricyclic antidepressant
Remark
Chemical group: 
Activity
Antidepressant, alpha-Adrenergic receptor antagonist, Serotonin receptor antagonist
Comment
tetracyclic antidepressant
Target
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140];
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137];
HTR2 [HSA:3356 3357 3358] [KO:K04157]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contraction
Gap junction
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: 
ChEMBL: 
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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