KEGG   DRUG: D01794Help
Entry
D01794                      Drug                                   

Name
Bopindolol malonate (JAN);
Sandonorm (TN)
Formula
C23H28N2O3. C3H4O4
Exact mass
484.221
Mol weight
484.5415
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihypertensive
Remark
ATC code: 
Drug group: 
Comment
Prodrug, active substance: Propranolol [DR:D08443]
Target
beta1-adrenergic receptor antagonist [HSA:153] [KO:K04141];
beta2-adrenergic receptor antagonist [HSA:154] [KO:K04142];
beta3-adrenergic receptor antagonist [HSA:155] [KO:K04143]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04970  Salivary secretion  
 
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C07 BETA BLOCKING AGENTS
   C07A BETA BLOCKING AGENTS
    C07AA Beta blocking agents, non-selective
     C07AA17 Bopindolol
      D01794  Bopindolol malonate (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Bopindolol
      D01794  Bopindolol malonate (JAN)
    beta2-adrenergic receptor
     Bopindolol
      D01794  Bopindolol malonate (JAN)
    beta3-adrenergic receptor
     Bopindolol
      D01794  Bopindolol malonate (JAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2D6
   Bopindolol
    D01794  Bopindolol malonate (JAN)
BRITE hierarchy
Other DBs
CAS: 
82857-38-3
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        35
            1   C1b C    38.6650  -25.6293
            2   C6a C    37.4790  -24.9318
            3   C6a C    39.9206  -24.9318
            4   O6a O    36.2931  -25.6293
            5   O6a O    37.4790  -23.5366
            6   O6a O    41.1065  -25.6293
            7   O6a O    39.9206  -23.5366
            8   O2a O    25.8372  -23.1178
            9   C8y C    25.8372  -24.4432
            10  C8x C    27.0929  -25.1408
            11  C8x C    27.0929  -26.5360
            12  C8x C    25.8372  -27.2336
            13  C8y C    24.6513  -25.1408
            14  C8y C    24.6513  -26.5360
            15  N4x N    23.3258  -26.9545
            16  C8y C    22.4887  -25.7686
            17  C8x C    23.3258  -24.6525
            18  C1a C    21.0935  -25.7686
            19  C1b C    27.0929  -22.4202
            20  C1c C    28.2788  -23.1178
            21  C1b C    29.4647  -22.4202
            22  N1b N    30.6506  -23.1178
            23  C1d C    31.8365  -22.4202
            24  C1a C    33.0922  -23.1178
            25  C1a C    31.8365  -21.0250
            26  C1a C    33.0922  -21.6528
            27  C7a C    28.9764  -25.7686
            28  O6a O    28.2788  -26.9545
            29  C8y C    30.3715  -25.7686
            30  C8x C    31.0691  -26.9545
            31  C8x C    32.4643  -26.9545
            32  C8x C    31.0691  -24.5130
            33  C8x C    32.4643  -24.5130
            34  C8x C    33.1619  -25.7686
            35  O7a O    28.2788  -24.5130
BOND        36
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     3   6 1
            6     3   7 2
            7     9  10 2
            8    10  11 1
            9    11  12 2
            10   12  14 1
            11   13   9 1
            12    8   9 1
            13   13  14 2
            14   14  15 1
            15   15  16 1
            16   16  17 2
            17   17  13 1
            18   16  18 1
            19    8  19 1
            20   19  20 1
            21   23  24 1
            22   23  25 1
            23   23  26 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   27  28 2
            28   27  29 1
            29   29  30 1
            30   30  31 2
            31   29  32 2
            32   32  33 1
            33   33  34 2
            34   34  31 1
            35   27  35 1
            36   20  35 1

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