KEGG   DRUG: Alprenolol
Entry
D07156                      Drug                                   

Name
Alprenolol (INN)
Formula
C15H23NO2
Exact mass
249.1729
Mol weight
249.3486
Structure
Simcomp
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist (Beta blocker)
 DG01653  Antiarrhythmics
  DG01806  Class II antiarrhythmic agent
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
ATC code: C07AA01
Chemical structure group: DG00303
Efficacy
Antiarrhythmic, beta-Adrenergic receptor antagonist
Comment
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]
Interaction
Structure map
map07037  Antiarrhythmic drugs
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
     C07AA01 Alprenolol
      D07156  Alprenolol (INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01464  beta-Adrenergic receptor antagonist (Beta blocker)
    DG00303  Alprenolol
     D07156  Alprenolol
  DG01653  Antiarrhythmics
   DG01806  Class II antiarrhythmic agent
    DG00303  Alprenolol
     D07156  Alprenolol
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00303  Alprenolol
    D07156  Alprenolol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB
     D07156  Alprenolol (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07156
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01464  beta-Adrenergic receptor antagonist (Beta blocker)
    DG00303  Alprenolol
  DG01653  Antiarrhythmics
   DG01806  Class II antiarrhythmic agent
    DG00303  Alprenolol
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00303  Alprenolol
Other DBs
CAS: 13655-52-2
PubChem: 51091495
ChEBI: 51211
ChEMBL: CHEMBL266195
DrugBank: DB00866
LigandBox: D07156
NIKKAJI: J8.133G
LinkDB
KCF data

ATOM        18
            1   C1b C    23.5900  -16.1700
            2   C1c C    24.7800  -16.8700
            3   C1b C    25.9700  -16.1700
            4   N1b N    27.1600  -16.8700
            5   C1c C    28.4200  -16.1700
            6   C1a C    29.6100  -16.8700
            7   O2a O    22.3300  -16.8700
            8   O1a O    24.7800  -18.2700
            9   C1a C    28.4200  -14.7700
            10  C8y C    22.3300  -18.2700
            11  C8y C    21.1400  -18.9700
            12  C8x C    21.1400  -20.3700
            13  C8x C    22.3300  -21.0700
            14  C8x C    23.5900  -20.3700
            15  C8x C    23.5900  -18.9700
            16  C1b C    19.9500  -18.2700
            17  C2b C    18.7600  -18.9700
            18  C2a C    18.7600  -20.3700
BOND        18
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     2   8 1
            6     7   1 1
            7     5   9 1
            8     1   2 1
            9     7  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   11  16 1
            17   16  17 1
            18   17  18 2

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KEGG   DRUG: Alprenolol hydrochloride
Entry
D01182                      Drug                                   

Name
Alprenolol hydrochloride (JP18/USAN);
Regletin (TN)
Formula
C15H23NO2. HCl
Exact mass
285.1496
Mol weight
285.8096
Structure
Simcomp
Class
Cardiovascular agent
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist (Beta blocker)
 DG01653  Antiarrhythmics
  DG01806  Class II antiarrhythmic agent
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
ATC code: C07AA01
Chemical structure group: DG00303
Efficacy
Antiarrhythmic, beta-Adrenergic receptor antagonist
Comment
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]
Interaction
Structure map
map07037  Antiarrhythmic drugs
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
     C07AA01 Alprenolol
      D01182  Alprenolol hydrochloride (JP18/USAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01464  beta-Adrenergic receptor antagonist (Beta blocker)
    DG00303  Alprenolol
     D01182  Alprenolol hydrochloride
  DG01653  Antiarrhythmics
   DG01806  Class II antiarrhythmic agent
    DG00303  Alprenolol
     D01182  Alprenolol hydrochloride
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00303  Alprenolol
    D01182  Alprenolol hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB
     D01182  Alprenolol hydrochloride (JP18/USAN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01182  Alprenolol hydrochloride
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D01182
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG01464  beta-Adrenergic receptor antagonist (Beta blocker)
    DG00303  Alprenolol
  DG01653  Antiarrhythmics
   DG01806  Class II antiarrhythmic agent
    DG00303  Alprenolol
 Metabolizing enzyme substrate
  DG01644  CYP2D6 substrate
   DG00303  Alprenolol
Other DBs
CAS: 13707-88-5
PubChem: 7848245
ChEBI: 31191
ChEMBL: CHEMBL1256179
DrugBank: DB00866
LigandBox: D01182
NIKKAJI: J280.755F
LinkDB
KCF data

ATOM        19
            1   C1b C    12.2500   -5.1800
            2   C1c C    13.4400   -5.8800
            3   C1b C    14.6300   -5.1800
            4   N1b N    15.8200   -5.8800
            5   C1c C    17.0800   -5.1800
            6   C1a C    18.2700   -5.8800
            7   O2a O    10.9900   -5.8800
            8   O1a O    13.4400   -7.2800
            9   C1a C    17.0800   -3.7800
            10  C8y C    10.9900   -7.2800
            11  C8y C     9.7776   -7.9800
            12  C8x C     9.7776   -9.3800
            13  C8x C    10.9900  -10.0800
            14  C8x C    12.2024   -9.3800
            15  C8x C    12.2024   -7.9800
            16  C1b C     8.5821   -7.2896
            17  C2b C     7.3947   -7.9751
            18  C2a C     7.3947   -9.3751
            19  X   Cl   16.8000   -9.1700
BOND        18
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     2   8 1
            6     7   1 1
            7     5   9 1
            8     1   2 1
            9     7  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   11  16 1
            17   16  17 1
            18   17  18 2

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