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: 
Drug group: 
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
     Penbutolol
      D08074  Penbutolol (INN)
    beta2-adrenergic receptor
     Penbutolol
      D08074  Penbutolol (INN)
    beta3-adrenergic receptor
     Penbutolol
      D08074  Penbutolol (INN)
BRITE hierarchy
Other DBs
CAS: 
38363-40-5
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        21
            1   O2a O    16.8811  -17.8720
            2   C1b C    18.0682  -17.1737
            3   C1c C    19.3252  -17.8720
            4   C1b C    20.5123  -17.1737
            5   O1a O    19.3252  -19.2686
            6   N1b N    21.7693  -17.8720
            7   C1d C    22.9565  -17.1737
            8   C1a C    24.1670  -17.8593
            9   C1a C    22.9448  -15.7501
            10  C1a C    24.1689  -16.4737
            11  C8y C    16.8811  -19.2720
            12  C8y C    15.6700  -19.9711
            13  C8x C    15.6700  -21.3711
            14  C8x C    16.8824  -22.0712
            15  C8x C    18.0935  -21.3720
            16  C8x C    18.0935  -19.9720
            17  C1y C    14.4561  -19.2703
            18  C1x C    14.5240  -17.8504
            19  C1x C    13.2006  -17.3462
            20  C1x C    12.3121  -18.4489
            21  C1x C    13.0864  -19.6347
BOND        22
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     3   5 1 #Down
            5     4   6 1
            6     6   7 1
            7     7   8 1
            8     7   9 1
            9     7  10 1
            10    1  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   11  16 1
            17   12  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   17  21 1

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