KEGG   DRUG: Penbutolol sulfate
Entry
D00602                      Drug                                   

Name
Penbutolol sulfate (JP17/USP);
Levatol (TN)
Formula
(C18H29NO2)2. H2SO4
Exact mass
680.407
Mol weight
680.9352
Structure
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01806  Class II antiarrhythmic agent
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
   DG01462  beta2-Adrenergic receptor antagonist
   DG01463  beta3-Adrenergic receptor antagonist
Remark
ATC code: C07AA23
Chemical structure group: DG00312
Efficacy
Antihypertensive, beta-Adrenergic receptor antagonist
Comment
Propranolol derivative
Target
ADRB [HSA:153 154 155] [KO:K04141 K04142 K04143]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
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 (JP17/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB
     D00602  Penbutolol sulfate (JP17/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00602  Penbutolol sulfate
Other DBs
CAS: 38363-32-5
PubChem: 7847668
ChEBI: 7955
ChEMBL: CHEMBL2361370
LigandBox: D00602
NIKKAJI: J299.254J
LinkDB
KCF data

ATOM        47
            1   S4a S    27.2992  -16.0413
            2   O1d O    25.9020  -16.0356
            3   O1d O    28.7023  -16.0413
            4   O1d O    27.2932  -14.6441
            5   O1d O    27.2932  -17.4387
            6   C1b C    17.5700  -14.9100
            7   N1b N    18.7824  -15.6100
            8   C1d C    19.9779  -14.9196
            9   C1a C    21.1653  -15.6051
            10  C1a C    19.9780  -13.5103
            11  C1a C    21.1904  -14.2196
            12  C1c C    16.3576  -15.6100
            13  C1b C    15.1621  -14.9196
            14  O1a O    16.3575  -17.0098
            15  O2a O    13.9747  -15.6051
            16  C8y C    13.9747  -17.0051
            17  C8y C    12.7793  -17.6955
            18  C8x C    12.7796  -19.0955
            19  C8x C    13.9921  -19.7953
            20  C8x C    15.1875  -19.1049
            21  C8x C    15.1873  -17.7049
            22  C1y C    11.5961  -17.0126
            23  C1x C    11.6347  -15.6101
            24  C1x C    10.3158  -15.1409
            25  C1x C     9.4620  -16.2502
            26  C1x C    10.2532  -17.4050
            27  C1b C    17.5700  -14.9100
            28  N1b N    18.7824  -15.6100
            29  C1d C    19.9779  -14.9196
            30  C1a C    21.1653  -15.6051
            31  C1a C    19.9780  -13.5103
            32  C1a C    21.1904  -14.2196
            33  C1c C    16.3576  -15.6100
            34  C1b C    15.1621  -14.9196
            35  O2a O    13.9747  -15.6051
            36  C8y C    13.9747  -17.0051
            37  C8y C    12.7793  -17.6955
            38  C8x C    12.7796  -19.0955
            39  C8x C    13.9921  -19.7953
            40  C8x C    15.1875  -19.1049
            41  C8x C    15.1873  -17.7049
            42  C1y C    11.5961  -17.0126
            43  C1x C    11.6347  -15.6101
            44  C1x C    10.3158  -15.1409
            45  C1x C     9.4620  -16.2502
            46  C1x C    10.2532  -17.4050
            47  O1a O    16.3575  -17.0098
BOND        48
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     1   5 2
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     8  10 1
            9     8  11 1
            10    6  12 1
            11   12  13 1
            12   12  14 1 #Down
            13   13  15 1
            14   15  16 1
            15   16  17 2
            16   17  18 1
            17   18  19 2
            18   19  20 1
            19   20  21 2
            20   16  21 1
            21   17  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   22  26 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   29  31 1
            31   29  32 1
            32   27  33 1
            33   33  34 1
            34   33  47 1 #Down
            35   34  35 1
            36   35  36 1
            37   36  37 2
            38   37  38 1
            39   38  39 2
            40   39  40 1
            41   40  41 2
            42   36  41 1
            43   37  42 1
            44   42  43 1
            45   43  44 1
            46   44  45 1
            47   45  46 1
            48   42  46 1
BRACKET     1     8.9600  -20.3000    8.9600  -12.1100
            1    23.3100  -12.1100   23.3100  -20.3000
            1  2
 ORIGINAL  1    6   7   8   9  10  11  12  13  15  16  17  18  19  20  21  22
            1   23  24  25  26  14
 REPEAT    1   27  28  29  30  31  32  33  34  35  36  37  38  39  40  41  42
            1   43  44  45  46  47

» Japanese version   » Back

DBGET integrated database retrieval system