KEGG   DRUG: AcebutololHelp
Entry
D02338                      Drug                                   

Name
Acebutolol (USAN/INN)
Formula
C18H28N2O4
Exact mass
336.2049
Mol weight
336.4259
Structure
Mol fileKCF fileDB searchJmolKegDraw
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
Remark
Same as: 
ATC code: 
Chemical group: 
Activity
Antiarrhythmic, Antihypertensive, Vasodilator, beta1-Adrenergic receptor antagonist
Comment
Propranolol derivative
Target
ADRB1 [HSA:153] [KO:K04141]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
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
     Acebutolol
      D02338  Acebutolol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
37517-30-9
PubChem: 
ChEBI: 
ChEMBL: 
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

» Japanese version   » Back

DBGET integrated database retrieval system