KEGG   DRUG: Acebutolol
Entry
D02338                      Drug                                   

Name
Acebutolol (USAN/INN)
Formula
C18H28N2O4
Exact mass
336.2049
Mol weight
336.4259
Structure
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: C06803
ATC code: C07AB04
Chemical structure group: DG00314
Product (DG00314): D00597<JP/US>
Efficacy
Antiarrhythmic, Antihypertensive, Vasodilator, beta1-Adrenergic receptor antagonist
Comment
Propranolol derivative
Target
ADRB1 [HSA:153] [KO:K04141]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
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)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB1
     D02338  Acebutolol (USAN/INN)
Other DBs
CAS: 37517-30-9
PubChem: 7849397
ChEBI: 2379
ChEMBL: CHEMBL642
DrugBank: DB01193
LigandBox: D02338
NIKKAJI: J252.821E
LinkDB
KCF data

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