KEGG   DRUG: D05011Help
Entry
D05011                      Drug                                   

Name
Metoprolol fumarate (USP);
Lopressor (TN)
Formula
(C15H25NO3)2. C4H4O4
Exact mass
650.3778
Mol weight
650.8
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antihypertensive
Remark
ATC code: 
Drug group: 
Target
beta1-adrenergic receptor antagonist [HSA:153] [KO:K04141]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04970  Salivary secretion  
 
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Genomic biomarker: CYP2D6 [HSA:1565]
Drug interaction
Structure map
Antiarrhythmic drugs
Antimigraines
beta-Adrenergic receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C07 BETA BLOCKING AGENTS
   C07A BETA BLOCKING AGENTS
    C07AB Beta blocking agents, selective
     C07AB02 Metoprolol
      D05011  Metoprolol fumarate (USP)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Beta-adrenergic Blocking Agents
   Metoprolol
    D05011  Metoprolol fumarate (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Metoprolol
      D05011  Metoprolol fumarate (USP)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP2D6
   Metoprolol
    D05011  Metoprolol fumarate (USP)
BRITE hierarchy
Other DBs
CAS: 
119637-66-0
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        46
            1   C6a C    31.1975  -34.7892
            2   C2b C    32.4086  -35.4912
            3   O6a O    29.9865  -35.4912
            4   O6a O    31.1975  -33.3911
            5   C2b C    33.6253  -34.7892
            6   C6a C    34.8363  -35.4912
            7   O6a O    36.0473  -34.7892
            8   O6a O    34.8363  -36.8893
            9   C1c C    24.3600  -31.9900
            10  C1a C    25.5724  -32.6900
            11  N1b N    23.1476  -32.6900
            12  C1a C    24.3600  -30.5900
            13  C1b C    21.9521  -31.9996
            14  C1c C    20.7647  -32.6851
            15  C1b C    19.5735  -31.9971
            16  O1a O    20.7645  -34.0898
            17  O2a O    18.3840  -32.6838
            18  C8y C    18.3840  -34.0838
            19  C8x C    17.1886  -34.7742
            20  C8x C    17.1889  -36.1742
            21  C8y C    18.4014  -36.8740
            22  C8x C    19.5968  -36.1836
            23  C8x C    19.5966  -34.7836
            24  C1b C    18.4016  -38.2900
            25  C1b C    17.1955  -38.9865
            26  O2a O    16.0030  -38.2980
            27  C1a C    14.8144  -38.9844
            28  C1c C    24.3600  -31.9900
            29  C1a C    25.5724  -32.6900
            30  N1b N    23.1476  -32.6900
            31  C1b C    21.9521  -31.9996
            32  C1c C    20.7647  -32.6851
            33  C1b C    19.5735  -31.9971
            34  O2a O    18.3840  -32.6838
            35  C8y C    18.3840  -34.0838
            36  C8x C    17.1886  -34.7742
            37  C8x C    17.1889  -36.1742
            38  C8y C    18.4014  -36.8740
            39  C8x C    19.5968  -36.1836
            40  C8x C    19.5966  -34.7836
            41  C1b C    18.4016  -38.2900
            42  C1b C    17.1955  -38.9865
            43  O2a O    16.0030  -38.2980
            44  C1a C    14.8144  -38.9844
            45  O1a O    20.7645  -34.0898
            46  C1a C    24.3600  -30.5900
BOND        45
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8     9  10 1
            9     9  11 1
            10    9  12 1
            11   11  13 1
            12   13  14 1
            13   14  15 1
            14   14  16 1
            15   15  17 1
            16   17  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   26  27 1
            27   28  29 1
            28   28  30 1
            29   28  46 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   32  45 1
            34   33  34 1
            35   34  35 1
            36   35  36 2
            37   36  37 1
            38   37  38 2
            39   38  39 1
            40   39  40 2
            41   35  40 1
            42   38  41 1
            43   41  42 1
            44   42  43 1
            45   43  44 1
BRACKET     1    12.0400  -39.8300   12.0400  -29.5400
            1    27.4400  -29.5400   27.4400  -39.8300
            1  2
 ORIGINAL  1    9  10  11  13  14  15  17  18  19  20  21  22  23  24  25  26
            1   27  16  12
 REPEAT    1   28  29  30  31  32  33  34  35  36  37  38  39  40  41  42  43
            1   44  45  46

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