KEGG   DRUG: Diacetolol hydrochlorideHelp
Entry
D03759                      Drug                                   

Name
Diacetolol hydrochloride (USAN)
Formula
C16H24N2O4. HCl
Exact mass
344.1503
Mol weight
344.8337
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01806  Class II antiarrhythmic agent
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
   DG01462  beta2-Adrenergic receptor antagonist
   DG01463  beta3-Adrenergic receptor antagonist
Activity
Antiarrhythmic, beta-Adrenergic receptor antagonist
Comment
Propranolol derivative
Target
ADRB1 [HSA:153] [KO:K04141];
ADRB2 [HSA:154] [KO:K04142];
ADRB3 [HSA:155] [KO:K04143]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Salivary secretion
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Diacetolol
      D03759  Diacetolol hydrochloride (USAN)
    beta2-adrenergic receptor
     Diacetolol
      D03759  Diacetolol hydrochloride (USAN)
    beta3-adrenergic receptor
     Diacetolol
      D03759  Diacetolol hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
69796-04-9
PubChem: 
LigandBox: 
KCF data Show

ATOM        23
            1   C8y C    30.8733  -17.2924
            2   C8y C    29.6830  -17.9925
            3   C8x C    32.1334  -17.9925
            4   O2a O    30.8733  -15.8922
            5   C8x C    29.6830  -19.3927
            6   C5a C    28.4229  -17.2924
            7   C8x C    32.1334  -19.3227
            8   C1b C    32.0634  -15.1921
            9   C8y C    30.9433  -20.0929
            10  C1a C    27.2326  -17.9925
            11  O5a O    28.4229  -15.8922
            12  C1c C    33.2537  -15.8222
            13  N1b N    30.9433  -21.4932
            14  C1b C    34.5138  -15.1220
            15  O1a O    33.2537  -17.2224
            16  C5a C    29.7530  -22.1932
            17  N1b N    35.7041  -15.8222
            18  C1a C    28.4929  -21.4932
            19  O5a O    29.7530  -23.5935
            20  C1c C    36.8942  -15.1220
            21  C1a C    38.1545  -15.7522
            22  C1a C    36.8942  -13.7219
            23  X   Cl   40.8150  -19.5328
BOND        22
            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   20  21 1
            21   20  22 1
            22    7   9 2

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