KEGG   DRUG: Propranolol
Entry
D08443                      Drug                                   

Name
Propranolol (INN);
Propranolol (TN)
Formula
C16H21NO2
Exact mass
259.1572
Mol weight
259.3434
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
   DG01462  beta2-Adrenergic receptor antagonist
   DG01463  beta3-Adrenergic receptor antagonist
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01639  CYP2C19 substrate
 DG01644  CYP2D6 substrate
Remark
Same as: C07407
ATC code: C07AA05
Chemical structure group: DG00305
Product (DG00305): D00483<JP/US>
Efficacy
Antiarrhythmic, Antihypertensive, beta-Adrenergic receptor antagonist
Comment
Class II antiarrhythmic agent
Propranolol derivative
Target
ADRB [HSA:153 154 155] [KO:K04141 K04142 K04143]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
Metabolism
Enzyme: CYP2D6 [HSA:1565], CYP1A2 [HSA:1544], CYP2C19 [HSA:1557]
Interaction
Structure map
map07037  Antiarrhythmic drugs
map07048  Antimigraines
map07114  Naphthalene family
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
    C07AA Beta blocking agents, non-selective
     C07AA05 Propranolol
      D08443  Propranolol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB
     D08443  Propranolol (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08443
Other DBs
CAS: 525-66-6
PubChem: 96025129
ChEBI: 8499
ChEMBL: CHEMBL27
DrugBank: DB00571
LigandBox: D08443
NIKKAJI: J6.653B
LinkDB
KCF data

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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