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    27.7675  -21.4192
            2   C2b C    28.9786  -22.1212
            3   O6a O    26.5565  -22.1212
            4   O6a O    27.7675  -20.0211
            5   C2b C    30.1953  -21.4192
            6   C6a C    31.4063  -22.1212
            7   O6a O    32.6173  -21.4192
            8   O6a O    31.4063  -23.5193
            9   C8y C    23.0300  -16.3800
            10  C8x C    21.8400  -17.0800
            11  C8x C    23.0300  -14.9800
            12  O2a O    24.2200  -17.0800
            13  C8x C    20.5800  -16.3800
            14  C8x C    21.8400  -14.2800
            15  C1b C    25.4800  -16.3800
            16  C8y C    20.5800  -14.9800
            17  C1c C    26.6700  -17.0800
            18  C1b C    19.3900  -14.2800
            19  C1b C    27.8600  -16.3800
            20  O1a O    26.6700  -18.4800
            21  C1b C    18.2000  -14.9800
            22  N1b N    29.1200  -17.0800
            23  O2a O    16.9400  -14.2800
            24  C1c C    30.3100  -16.3800
            25  C1a C    15.6800  -15.0500
            26  C1a C    31.5000  -17.0800
            27  C1a C    30.3100  -15.0500
            28  C8y C    23.0300  -16.3800
            29  C8x C    21.8400  -17.0800
            30  C8x C    20.5800  -16.3800
            31  C8y C    20.5800  -14.9800
            32  C1b C    19.3900  -14.2800
            33  C1b C    18.2000  -14.9800
            34  O2a O    16.9400  -14.2800
            35  C1a C    15.6800  -15.0500
            36  C8x C    21.8400  -14.2800
            37  C8x C    23.0300  -14.9800
            38  O2a O    24.2200  -17.0800
            39  C1b C    25.4800  -16.3800
            40  C1c C    26.6700  -17.0800
            41  C1b C    27.8600  -16.3800
            42  N1b N    29.1200  -17.0800
            43  C1c C    30.3100  -16.3800
            44  C1a C    31.5000  -17.0800
            45  C1a C    30.3100  -15.0500
            46  O1a O    26.6700  -18.4800
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 2
            9     9  11 1
            10    9  12 1
            11   10  13 1
            12   11  14 2
            13   12  15 1
            14   13  16 2
            15   15  17 1
            16   16  18 1
            17   17  19 1
            18   17  20 1
            19   18  21 1
            20   19  22 1
            21   21  23 1
            22   22  24 1
            23   23  25 1
            24   24  26 1
            25   24  27 1
            26   14  16 1
            27   28  29 2
            28   28  37 1
            29   28  38 1
            30   29  30 1
            31   37  36 2
            32   38  39 1
            33   30  31 2
            34   39  40 1
            35   31  32 1
            36   40  41 1
            37   40  46 1
            38   32  33 1
            39   41  42 1
            40   33  34 1
            41   42  43 1
            42   34  35 1
            43   43  44 1
            44   43  45 1
            45   36  31 1
BRACKET     1    13.7200  -19.1800   13.7200  -13.3000
            1    33.1100  -13.3000   33.1100  -19.1800
            1  2
 ORIGINAL  1    9  10  13  16  18  21  23  25  14  11  12  15  17  19  22  24
            1   26  27  20
 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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