KEGG   DRUG: D08074Help
Entry
D08074                      Drug                                   

Name
Penbutolol (INN)
Formula
C18H29NO2
Exact mass
291.2198
Mol weight
291.4284
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
beta-Adrenergic blocking
Remark
Same as: 
ATC code: 
Target
beta1-adrenergic receptor antagonist [HSA:153] [KO:K04141];
beta2-adrenergic receptor antagonist [HSA:154] [KO:K04142];
beta3-adrenergic receptor antagonist [HSA:155] [KO:K04143]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04970  Salivary secretion  
 
Interaction
Drug interaction
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
     C07AA23 Penbutolol
      D08074  Penbutolol (INN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Beta-adrenergic Blocking Agents
   Penbutolol
    D08074  Penbutolol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor [HSA:153] [KO:K04141]
     Penbutolol [ATC:C07AA23]
      D08074  Penbutolol (INN)
    beta2-adrenergic receptor [HSA:154] [KO:K04142]
     Penbutolol [ATC:C07AA23]
      D08074  Penbutolol (INN)
    beta3-adrenergic receptor [HSA:155] [KO:K04143]
     Penbutolol [ATC:C07AA23]
      D08074  Penbutolol (INN)
BRITE hierarchy
Other DBs
CAS: 
38363-40-5
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        21
            1   C8y C    23.3100  -17.8500
            2   C8y C    23.3100  -19.3200
            3   C1y C    24.5700  -17.1500
            4   C8x C    22.1200  -17.1500
            5   O2a O    24.5700  -20.0200
            6   C8x C    22.1200  -20.0200
            7   C1x C    25.9000  -17.6400
            8   C1x C    24.5700  -15.7500
            9   C8x C    20.8600  -17.8500
            10  C1b C    25.7600  -19.3200
            11  C8x C    20.8600  -19.3200
            12  C1x C    26.7400  -16.4500
            13  C1x C    25.9000  -15.3300
            14  C1c C    27.0200  -20.0200
            15  C1b C    28.2100  -19.3200
            16  O1a O    27.0200  -21.4200
            17  N1b N    29.4700  -20.0200
            18  C1d C    30.6600  -19.3200
            19  C1a C    31.8500  -18.6900
            20  C1a C    30.1700  -18.2700
            21  C1a C    31.2900  -20.5800
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13   10  14 1
            14   14  15 1
            15   14  16 1 #Down
            16   15  17 1
            17   17  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 1
            21    9  11 2
            22   12  13 1

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