KEGG   DRUG: Adaprolol maleateHelp
Entry
D02765                      Drug                                   

Name
Adaprolol maleate (USAN)
Formula
C26H39NO4. C4H4O4
Exact mass
545.2989
Mol weight
545.6643
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular 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
Activity
Antihypertensive [beta-blocker, Ophthalmic]
Comment
Active form of prodrug: Metoprolol [DR:D02358]
Target
beta1-adrenergic receptor [HSA:153] [KO:K04141];
beta2-adrenergic receptor [HSA:154] [KO:K04142];
beta3-adrenergic receptor [HSA:155] [KO:K04143]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Adaprolol
      D02765  Adaprolol maleate (USAN)
    beta2-adrenergic receptor
     Adaprolol
      D02765  Adaprolol maleate (USAN)
    beta3-adrenergic receptor
     Adaprolol
      D02765  Adaprolol maleate (USAN)
BRITE hierarchy
Other DBs
CAS: 
121009-31-2
PubChem: 
LigandBox: 
KCF data Show

ATOM        39
            1   C2b C    23.0823  -24.7026
            2   C2b C    21.2632  -24.7026
            3   C6a C    20.6335  -25.8920
            4   C6a C    23.7820  -25.8920
            5   O6a O    21.2632  -27.0815
            6   O6a O    23.0823  -27.0815
            7   O6a O    25.1813  -25.8920
            8   O6a O    19.3041  -25.8920
            9   C1b C    15.9600  -17.8500
            10  O2a O    14.7700  -18.4800
            11  C1b C    18.3400  -17.8500
            12  C1c C    17.1500  -18.4800
            13  C1a C    20.7200  -16.4500
            14  C1c C    20.7200  -17.8500
            15  N1b N    19.5300  -18.4800
            16  C1a C    21.8400  -18.4800
            17  O1a O    17.1500  -19.8800
            18  C8y C    14.7700  -19.8800
            19  C8x C    13.5800  -20.5800
            20  C8x C    13.5800  -21.9800
            21  C8y C    14.7700  -22.6800
            22  C8x C    15.9600  -21.9800
            23  C8x C    15.9600  -20.5800
            24  C1b C    14.7700  -24.0800
            25  C7a C    13.5800  -24.7800
            26  O7a O    12.3900  -24.0800
            27  O6a O    13.5800  -26.1800
            28  C1b C    11.2000  -24.7800
            29  C1b C    10.0100  -24.0800
            30  C1z C     8.8200  -24.7800
            31  C1x C     8.1200  -26.1800
            32  C1y C     8.1200  -27.4400
            33  C1y C     7.6300  -26.7400
            34  C1y C     9.9400  -26.7400
            35  C1x C     6.5100  -27.8600
            36  C1x C     9.2400  -28.4900
            37  C1x C     7.6300  -25.4100
            38  C1x C     8.8200  -27.3700
            39  C1x C     9.9400  -25.4100
BOND        41
            1     1   2 2
            2     2   3 1
            3     1   4 1
            4     3   5 2
            5     4   6 1
            6     4   7 2
            7     3   8 1
            8     9  10 1
            9    11  12 1
            10    9  12 1
            11   13  14 1
            12   14  15 1
            13   11  15 1
            14   14  16 1
            15   12  17 1
            16   10  18 1
            17   18  19 2
            18   19  20 1
            19   20  21 2
            20   21  22 1
            21   22  23 2
            22   18  23 1
            23   21  24 1
            24   24  25 1
            25   25  26 1
            26   25  27 2
            27   26  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   37  33 1
            33   33  38 1
            34   38  34 1
            35   34  39 1
            36   32  35 1
            37   32  36 1
            38   33  35 1
            39   34  36 1
            40   39  30 1
            41   30  37 1

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