KEGG   DRUG: D02338Help
Entry
D02338                      Drug                                   

Name
Acebutolol (USAN/INN)
Formula
C18H28N2O4
Exact mass
336.2049
Mol weight
336.4259
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-adrenergic [beta-receptor]
Remark
Same as: 
ATC code: 
Target
beta1-adrenergic receptor antagonist [HSA:153] [KO:K04141]
  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
    C07AB Beta blocking agents, selective
     C07AB04 Acebutolol
      D02338  Acebutolol (USAN/INN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Beta-adrenergic Blocking Agents
   Acebutolol
    D02338  Acebutolol (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor [HSA:153] [KO:K04141]
     Acebutolol [ATC:C07AB04]
      D02338  Acebutolol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
37517-30-9
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C8y C    20.8600  -14.8400
            2   C8y C    19.6700  -15.5400
            3   C8x C    22.1200  -15.5400
            4   O2a O    20.8600  -13.4400
            5   C8x C    19.6700  -16.9400
            6   C5a C    18.4800  -14.8400
            7   C8x C    22.1200  -16.9400
            8   C1b C    22.0500  -12.7400
            9   C8y C    20.9300  -17.6400
            10  C1a C    17.2200  -15.6100
            11  O5a O    18.4800  -13.4400
            12  C1c C    23.2400  -13.3700
            13  N1b N    20.9300  -19.0400
            14  C1b C    24.5000  -12.6700
            15  O1a O    23.2400  -14.8400
            16  C5a C    19.7400  -19.7400
            17  N1b N    25.6900  -13.3700
            18  C1b C    18.4800  -19.1100
            19  O5a O    19.7400  -21.1400
            20  C1c C    26.8800  -12.6700
            21  C1b C    17.2900  -19.8100
            22  C1a C    28.1400  -13.3700
            23  C1a C    26.8800  -11.2700
            24  C1a C    16.1000  -19.0400
BOND        24
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     6  10 1
            10    6  11 2
            11    8  12 1
            12    9  13 1
            13   12  14 1
            14   12  15 1
            15   13  16 1
            16   14  17 1
            17   16  18 1
            18   16  19 2
            19   17  20 1
            20   18  21 1
            21   20  22 1
            22   20  23 1
            23   21  24 1
            24    7   9 2

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