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]
Remark
Drug group: 
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   X   Cl   21.8400  -26.4600
            2   C1b C    17.4300  -21.8400
            3   O2a O    16.2400  -22.5400
            4   C1b C    19.8100  -21.8400
            5   C1c C    18.6200  -22.5400
            6   O1a O    18.6200  -23.8700
            7   N1b N    21.0000  -22.5400
            8   C1d C    22.1200  -21.8400
            9   C1a C    23.3100  -22.5400
            10  C1a C    22.1200  -20.4400
            11  C1a C    23.3800  -21.1400
            12  C8y C    16.2463  -23.9336
            13  C8y C    15.0296  -24.6435
            14  C8x C    15.0359  -26.0434
            15  C8x C    16.2515  -26.7380
            16  C8x C    17.3983  -26.0281
            17  C8x C    17.4619  -24.6281
            18  O2a O    13.8280  -23.9568
            19  C1b C    12.6499  -24.6440
            20  C5a C    11.4479  -23.9570
            21  N1b N    10.2699  -24.6440
            22  C1a C     9.0680  -23.9569
            23  O5a O    11.5114  -22.5405
BOND        22
            1     2   3 1
            2     4   5 1
            3     2   5 1
            4     5   6 1
            5     4   7 1
            6     7   8 1
            7     8   9 1
            8     8  10 1
            9     8  11 1
            10    3  12 1
            11   12  13 2
            12   13  14 1
            13   14  15 2
            14   15  16 1
            15   16  17 2
            16   12  17 1
            17   13  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   20  23 2

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