KEGG   DRUG: D06328Help
Entry
D06328                      Drug                                   

Name
Xamoterol (USAN)
Formula
C16H25N3O5
Exact mass
339.1794
Mol weight
339.3868
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Stimulant [cardiac]
Remark
Same as: 
ATC code: 
Drug group: 
Target
beta1-adrenergic receptor partial agonist [HSA:153] [KO:K04141]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04970  Salivary secretion  
 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CX Other cardiac stimulants
     C01CX07 Xamoterol
      D06328  Xamoterol (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Xamoterol
      D06328  Xamoterol (USAN)
BRITE hierarchy
Other DBs
CAS: 
81801-12-9
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C1b C    27.3243  -18.5092
            2   N1b N    28.5385  -17.8088
            3   C5a C    29.7468  -18.4975
            4   N1y N    30.9608  -17.8030
            5   C1x C    32.1691  -18.4975
            6   C1x C    30.9608  -16.4021
            7   C1x C    33.3831  -17.8030
            8   C1x C    32.1691  -15.6959
            9   O2x O    33.3831  -16.4021
            10  O5a O    29.7479  -19.8800
            11  C1b C    26.0811  -17.7913
            12  N1b N    24.8952  -18.4759
            13  C1b C    23.7033  -17.7874
            14  C1c C    22.5141  -18.4739
            15  C1b C    21.3239  -17.7865
            16  O1a O    22.5138  -19.8798
            17  O2a O    20.1338  -18.4734
            18  C8y C    18.9440  -17.7862
            19  C8x C    18.9441  -16.3802
            20  C8x C    17.7318  -15.6801
            21  C8y C    16.5193  -16.3800
            22  C8x C    16.5191  -17.7860
            23  C8x C    17.7315  -18.4861
            24  O1a O    15.3075  -15.6802
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 1
            8     7   9 1
            9     8   9 1
            10    3  10 2
            11    1  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   14  16 1
            17   15  17 1
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   18  23 1
            25   21  24 1

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