KEGG   DRUG: D02765Help
Entry
D02765                      Drug                                   

Name
Adaprolol maleate (USAN)
Formula
C26H39NO4. C4H4O4
Exact mass
545.2989
Mol weight
545.6643
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihypertensive [beta-blocker;
Ophthalmic]
Remark
Drug group: 
Comment
prodrug, active substance: Metoprolol [DR:D02358]
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  
 
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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