KEGG   DRUG: AlprenololHelp
Entry
D07156                      Drug                                   

Name
Alprenolol (INN)
Formula
C15H23NO2
Exact mass
249.1729
Mol weight
249.3486
Structure
Mol fileKCF fileDB search
Simcomp 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
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
Drug 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)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB
     D07156  Alprenolol (INN)
BRITE hierarchy
Other DBs
CAS: 13655-52-2
PubChem: 51091495
ChEBI: 51211
ChEMBL: CHEMBL266195
DrugBank: DB00866
LigandBox: D07156
NIKKAJI: J8.133G
LinkDB All DBs
KCF data Show

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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