KEGG   DRUG: PropranololHelp
Entry
D08443                      Drug                                   

Name
Propranolol (INN);
Propranolol (TN)
Formula
C16H21NO2
Exact mass
259.1572
Mol weight
259.3434
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01806  Class II antiarrhythmic 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
Cyp substrate
 DG01892  CYP1A2 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A substrate
Cyp inhibitor
 DG01634  CYP1A2 inhibitor
Remark
Same as: 
ATC code: 
Chemical group: 
Activity
Antiarrhythmic, Antihypertensive, beta-Adrenergic receptor antagonist
Comment
Class II antiarrhythmic agent
Propranolol derivative
Target
ADRB1 [HSA:153] [KO:K04141];
ADRB2 [HSA:154] [KO:K04142];
ADRB3 [HSA:155] [KO:K04143]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Salivary secretion
Metabolism
Enzyme: CYP1A2 [HSA:1544], CYP2C19 [HSA:1557], CYP2D6 [HSA:1565], CYP3A4 [HSA:1576], CYP3A5 [HSA:1577], CYP3A7 [HSA:1551]
Interaction
Genomic biomarker: CYP2D6 [HSA:1565]
CYP inhibition: CYP1A2 [HSA:1544]
Drug interaction
Structure map
Antiarrhythmic drugs
Antimigraines
Naphthalene family
beta-Adrenergic receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C07 BETA BLOCKING AGENTS
   C07A BETA BLOCKING AGENTS
    C07AA Beta blocking agents, non-selective
     C07AA05 Propranolol
      D08443  Propranolol (INN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Beta-adrenergic Blocking Agents
   Propranolol
    D08443  Propranolol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Propranolol
      D08443  Propranolol (INN)
    beta2-adrenergic receptor
     Propranolol
      D08443  Propranolol (INN)
    beta3-adrenergic receptor
     Propranolol
      D08443  Propranolol (INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP1A2
   Propranolol
    D08443  Propranolol (INN)
 CYP substrates
  CYP1A2
   Propranolol
    D08443  Propranolol (INN)
  CYP2C19
   Propranolol
    D08443  Propranolol (INN)
  CYP2D6
   Propranolol
    D08443  Propranolol (INN)
  CYP3A4
   Propranolol
    D08443  Propranolol (INN)
   Propranolol
    D08443  Propranolol (INN)
  CYP3A5
   Propranolol
    D08443  Propranolol (INN)
  CYP3A7
   Propranolol
    D08443  Propranolol (INN)
BRITE hierarchy
Other DBs
CAS: 
525-66-6
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        19
            1   C8y C    21.0700  -18.9700
            2   C8y C    22.3300  -18.2700
            3   C8y C    21.0700  -20.3700
            4   C8x C    19.8800  -18.2700
            5   O2a O    22.3300  -16.8700
            6   C8x C    23.5200  -18.9700
            7   C8x C    22.2600  -21.0700
            8   C8x C    19.8800  -21.0700
            9   C8x C    18.6900  -18.9700
            10  C1b C    23.5200  -16.1700
            11  C8x C    23.5200  -20.3700
            12  C8x C    18.6900  -20.3700
            13  C1c C    24.7100  -16.8700
            14  C1b C    25.9700  -16.1700
            15  O1a O    24.7100  -18.2700
            16  N1b N    27.1600  -16.8700
            17  C1c C    28.3500  -16.1700
            18  C1a C    29.6100  -16.8700
            19  C1a C    28.3500  -14.7700
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    8  12 2
            12   10  13 1
            13   13  14 1
            14   13  15 1
            15   14  16 1
            16   16  17 1
            17   17  18 1
            18   17  19 1
            19    7  11 2
            20    9  12 1

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