KEGG   DRUG: D03449Help
Entry
D03449                      Drug                                   

Name
Cetamolol hydrochloride (USAN)
Formula
C16H26N2O4. HCl
Exact mass
346.1659
Mol weight
346.8496
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
     Cetamolol
      D03449  Cetamolol hydrochloride (USAN)
    beta2-adrenergic receptor
     Cetamolol
      D03449  Cetamolol hydrochloride (USAN)
    beta3-adrenergic receptor
     Cetamolol
      D03449  Cetamolol hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
77590-95-5
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        23
            1   C8x C    19.6232  -15.2640
            2   C8x C    19.6232  -16.6399
            3   C8x C    20.8147  -17.3279
            4   C8y C    22.0064  -16.6399
            5   C8y C    22.0064  -15.2640
            6   C8x C    20.8147  -14.5760
            7   O2a O    23.1980  -17.6779
            8   C1b C    24.3895  -16.9899
            9   C1b C    24.3895  -14.9140
            10  O2a O    23.1980  -14.2260
            11  C5a C    25.5812  -17.6779
            12  N1b N    26.7728  -16.9899
            13  C1b C    26.7728  -14.9140
            14  C1c C    25.5812  -14.2260
            15  O1a O    25.5812  -12.8504
            16  O5a O    25.5812  -19.0536
            17  C1a C    28.3124  -17.8178
            18  N1b N    27.9684  -14.2237
            19  C1d C    29.1453  -14.9034
            20  C1a C    30.3359  -14.2160
            21  C1a C    29.1453  -16.3098
            22  C1a C    30.3577  -15.6034
            23  X   Cl   31.8909  -17.9495
BOND        22
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     9  10 1
            10    5  10 1
            11    8  11 1
            12   11  12 1
            13   13  14 1
            14    9  14 1
            15   14  15 1
            16   11  16 2
            17   12  17 1
            18   13  18 1
            19   18  19 1
            20   19  20 1
            21   19  21 1
            22   19  22 1

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