KEGG   DRUG: Metoprolol
Entry
D02358                      Drug                                   

Name
Metoprolol (USAN/INN)
Formula
C15H25NO3
Exact mass
267.1834
Mol weight
267.3639
Structure
Simcomp
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01806  Class II antiarrhythmic agent
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
Same as: C07202
ATC code: C07AB02
Chemical structure group: DG00313
Product (DG00313): D00601<JP/US> D00635<US>
Efficacy
Antihypertensive, Vasodilator, beta1-Adrenergic receptor antagonist
Comment
Propranolol derivative
Target
ADRB1 [HSA:153] [KO:K04141]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Structure map
map07037  Antiarrhythmic drugs
map07048  Antimigraines
map07214  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
      D02358  Metoprolol (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB1
     D02358  Metoprolol (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D02358
Other DBs
CAS: 51384-51-1
PubChem: 7849417
ChEBI: 6904
ChEMBL: CHEMBL13
DrugBank: DB00264
LigandBox: D02358
NIKKAJI: J31.137E
LinkDB
KCF data

ATOM        19
            1   O2a O    19.1800  -14.6300
            2   C1b C    20.3700  -13.9300
            3   C1c C    21.5600  -14.6300
            4   C1b C    22.7500  -13.9300
            5   O1a O    21.5600  -16.0300
            6   N1b N    24.0100  -14.6300
            7   C1c C    25.2000  -13.9300
            8   C1a C    26.3900  -14.6300
            9   C1a C    25.2000  -12.6000
            10  C8y C    19.1800  -16.0300
            11  C8x C    17.9900  -16.7300
            12  C8x C    17.9900  -18.1300
            13  C8y C    19.1800  -18.8300
            14  C8x C    20.3700  -18.1300
            15  C8x C    20.3700  -16.7300
            16  C1b C    19.1800  -20.2300
            17  C1b C    17.9900  -20.9300
            18  O2a O    16.8000  -20.2300
            19  C1a C    15.6100  -20.9300
BOND        19
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 1
            5     4   6 1
            6     6   7 1
            7     7   8 1
            8     7   9 1
            9     1  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13   13  14 1
            14   14  15 2
            15   10  15 1
            16   13  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1

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