KEGG   DRUG: D00602Help
Entry
D00602                      Drug                                   

Name
Penbutolol sulfate (JP16/USP);
Levatol (TN)
Product
Formula
(C18H29NO2)2. H2SO4
Exact mass
680.407
Mol weight
680.9352
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-adrenergic [beta-receptor]
Remark
ATC code: 
Drug group: 
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  
 
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
     C07AA23 Penbutolol
      D00602  Penbutolol sulfate (JP16/USP)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Beta-adrenergic Blocking Agents
   Penbutolol
    D00602  Penbutolol sulfate (JP16/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Penbutolol
      D00602  Penbutolol sulfate (JP16/USP)
    beta2-adrenergic receptor
     Penbutolol
      D00602  Penbutolol sulfate (JP16/USP)
    beta3-adrenergic receptor
     Penbutolol
      D00602  Penbutolol sulfate (JP16/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00602  Penbutolol sulfate
BRITE hierarchy
Other DBs
CAS: 
38363-32-5
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        47
            1   C8y C    26.0373  -16.5533
            2   C8y C    26.0373  -17.9799
            3   C1y C    27.2709  -15.8460
            4   C8x C    24.8155  -15.8460
            5   O2a O    27.2709  -18.6872
            6   C8x C    24.8155  -18.6872
            7   C1x C    28.6256  -16.2947
            8   C1x C    27.2726  -14.4382
            9   C8x C    23.5819  -16.5533
            10  C1b C    28.5045  -17.9799
            11  C8x C    23.5819  -17.9799
            12  C1x C    29.4635  -15.1486
            13  C1x C    28.6252  -13.9963
            14  C1c C    29.7262  -18.6814
            15  C1b C    30.9598  -17.9739
            16  O1a O    29.7262  -20.1020
            17  N1b N    32.1933  -18.6814
            18  C1d C    33.4152  -17.9739
            19  C1a C    34.5728  -17.4127
            20  C1a C    32.9242  -16.9158
            21  C1a C    34.0057  -19.2192
            22  S4a S    39.6892  -17.2313
            23  O1d O    38.2920  -17.2256
            24  O1d O    41.0923  -17.2313
            25  O1d O    39.6832  -15.8341
            26  O1d O    39.6832  -18.6287
            27  C8y C    26.0373  -16.5533
            28  C8y C    26.0373  -17.9799
            29  O2a O    27.2709  -18.6872
            30  C1b C    28.5045  -17.9799
            31  C1c C    29.7262  -18.6814
            32  C1b C    30.9598  -17.9739
            33  N1b N    32.1933  -18.6814
            34  C1d C    33.4152  -17.9739
            35  C1a C    34.5728  -17.4127
            36  C1a C    32.9242  -16.9158
            37  C1a C    34.0057  -19.2192
            38  O1a O    29.7262  -20.1020
            39  C8x C    24.8155  -18.6872
            40  C8x C    23.5819  -17.9799
            41  C8x C    23.5819  -16.5533
            42  C8x C    24.8155  -15.8460
            43  C1y C    27.2709  -15.8460
            44  C1x C    28.6256  -16.2947
            45  C1x C    29.4635  -15.1486
            46  C1x C    28.6252  -13.9963
            47  C1x C    27.2726  -14.4382
BOND        48
            1    22  23 1
            2    22  24 1
            3    22  25 2
            4    22  26 2
            5     1   2 1
            6     1   3 1
            7     1   4 2
            8     2   5 1
            9     2   6 2
            10    3   7 1
            11    3   8 1
            12    4   9 1
            13    5  10 1
            14    6  11 1
            15    7  12 1
            16    8  13 1
            17   10  14 1
            18   14  15 1
            19   14  16 1 #Up
            20   15  17 1
            21   17  18 1
            22   18  19 1
            23   18  20 1
            24   18  21 1
            25    9  11 2
            26   12  13 1
            27   27  28 1
            28   27  43 1
            29   27  42 2
            30   28  29 1
            31   28  39 2
            32   43  44 1
            33   43  47 1
            34   42  41 1
            35   29  30 1
            36   39  40 1
            37   44  45 1
            38   47  46 1
            39   30  31 1
            40   31  32 1
            41   31  38 1 #Up
            42   32  33 1
            43   33  34 1
            44   34  35 1
            45   34  36 1
            46   34  37 1
            47   41  40 2
            48   45  46 1
BRACKET     1    23.4500  -21.0000   23.4500  -13.3000
            1    35.9100  -13.3000   35.9100  -21.0000
            1  2
 ORIGINAL  1    1   2   5  10  14  15  17  18  19  20  21  16   6  11   9   4
            1    3   7  12  13   8
 REPEAT    1   27  28  29  30  31  32  33  34  35  36  37  38  39  40  41  42
            1   43  44  45  46  47

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