KEGG   DRUG: D03759Help
Entry
D03759                      Drug                                   

Name
Diacetolol hydrochloride (USAN)
Formula
C16H24N2O4. HCl
Exact mass
344.1503
Mol weight
344.8337
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Anti-adrenergic [beta-receptor]
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
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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